N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(3-chlorophenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3-chlorobenzyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3/c1-22-7-9-23(10-8-22)17-6-5-15(12-18(17)24(26)27)19(25)21-13-14-3-2-4-16(20)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)/p+1