4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-4-ium-1-yl)ethyl]benzamide chloride

Systemtic Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-4-ium-1-yl)ethyl]benzamide chloride Openeye Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-4-ium-1-yl)ethyl]benzamide chloride CAS Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenyl-1-piperazin-4-iumyl)ethyl]benzamide chloride IUPAC Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-4-ium-1-yl)ethyl]benzamide chloride Traditional Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-4-ium-1-yl)ethyl]benzamide chloride Formula: C22H30ClN5O4 MolecularWeight: 463.9577

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NCCN2CC[NH+](CC2)C3=CC=CC=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NCCN2CC[NH+](CC2)C3=CC=CC=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C22H29N5O4.ClH/c1-24(2)19-16-21(31-3)18(15-20(19)27(29)30)22(28)23-9-10-25-11-13-26(14-12-25)17-7-5-4-6-8-17;/h4-8,15-16H,9-14H2,1-3H3,(H,23,28);1H