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

Systemtic Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(dimethylamino)-2-methoxy-5-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4/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)/p+1