2-chloranyl-N-[(1S)-3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: 2-chloranyl-N-[(1S)-3-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-1-phenyl-propyl]benzamide CAS Name: 2-chloro-N-[(1S)-3-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: 2-chloro-N-[(1S)-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-keto-3-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-phenyl-propyl]benzamide Formula: C27H30ClN4O2+ MolecularWeight: 478.0057

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN4O2/c1-31-15-17-32(18-16-31)22-13-11-21(12-14-22)29-26(33)19-25(20-7-3-2-4-8-20)30-27(34)23-9-5-6-10-24(23)28/h2-14,25H,15-19H2,1H3,(H,29,33)(H,30,34)/p+1/t25-/m0/s1