N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[4-[(4-methoxyanilino)-oxomethyl]phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C26H28N5O5+ MolecularWeight: 490.53102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O5/c1-29-13-15-30(16-14-29)23-12-5-19(17-24(23)31(34)35)26(33)28-20-6-3-18(4-7-20)25(32)27-21-8-10-22(36-2)11-9-21/h3-12,17H,13-16H2,1-2H3,(H,27,32)(H,28,33)/p+1