N-[4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylamino]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[4-methyl-3-[[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]amino]phenyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]phenyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)amino]phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C27H34N8O2+2 MolecularWeight: 502.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H32N8O2/c1-21-8-9-22(30-26(36)34-16-12-32(13-17-34)24-6-2-4-10-28-24)20-23(21)31-27(37)35-18-14-33(15-19-35)25-7-3-5-11-29-25/h2-11,20H,12-19H2,1H3,(H,30,36)(H,31,37)/p+2