N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C23H29ClN5O3+ MolecularWeight: 458.96106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H28ClN5O3/c1-26-11-13-28(14-12-26)20-8-6-18(16-19(20)24)25-23(30)17-5-7-21(22(15-17)29(31)32)27-9-3-2-4-10-27/h5-8,15-16H,2-4,9-14H2,1H3,(H,25,30)/p+1