azocan-1-yl-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: azocan-1-yl-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Openeye Name: azocan-1-yl-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone CAS Name: 1-azocanyl-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methanone IUPAC Name: azocan-1-yl-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanone Traditional Name: azocan-1-yl-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-20-11-13-21(14-12-20)17-8-7-16(15-18(17)23(25)26)19(24)22-9-5-3-2-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3/p+1