N-[1-azanyl-1,2-bis(oxidanylidene)heptan-3-yl]-2-[(E)-2-[4-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethenyl]pyridine-3-carboxamide dihydrochloride

Systemtic Name: N-[1-azanyl-1,2-bis(oxidanylidene)heptan-3-yl]-2-[(E)-2-[4-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethenyl]pyridine-3-carboxamide dihydrochloride Openeye Name: 2-[(E)-2-[4-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]vinyl]-N-(1-oxamoylpentyl)pyridine-3-carboxamide dihydrochloride CAS Name: N-(1-amino-1,2-dioxoheptan-3-yl)-2-[(E)-2-[4-[(1-methyl-1-piperazin-1-iumyl)methyl]phenyl]ethenyl]-3-pyridinecarboxamide dihydrochloride IUPAC Name: N-(1-amino-1,2-dioxoheptan-3-yl)-2-[(E)-2-[4-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethenyl]pyridine-3-carboxamide dihydrochloride Traditional Name: 2-[(E)-2-[4-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]vinyl]-N-(1-oxamoylpentyl)nicotinamide dihydrochloride Formula: C27H38Cl2N5O3+ MolecularWeight: 551.52832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)N)NC(=O)C1=C(N=CC=C1)C=CC2=CC=C(C=C2)C[N+]3(CCNCC3)C.Cl.Cl

Isomeric SMILES

CCCCC(C(=O)C(=O)N)NC(=O)C1=C(N=CC=C1)/C=C/C2=CC=C(C=C2)C[N+]3(CCNCC3)C.Cl.Cl

InChI

InChI=1S/C27H35N5O3.2ClH/c1-3-4-7-24(25(33)26(28)34)31-27(35)22-6-5-14-30-23(22)13-12-20-8-10-21(11-9-20)19-32(2)17-15-29-16-18-32;;/h5-6,8-14,24,29H,3-4,7,15-19H2,1-2H3,(H2-,28,31,34,35);2*1H/p+1/b13-12+;;