N-[3-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-3-methyl-benzamide

Systemtic Name: N-[3-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-3-methyl-benzamide Openeye Name: N-[3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-propyl]-3-methyl-benzamide CAS Name: N-[3-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxopropyl]-3-methylbenzamide IUPAC Name: N-[3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxopropyl]-3-methylbenzamide Traditional Name: N-[3-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-3-keto-propyl]-3-methyl-benzamide Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27ClN4O2/c1-16-4-3-5-17(14-16)22(29)24-9-8-21(28)25-19-15-18(23)6-7-20(19)27-12-10-26(2)11-13-27/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)(H,25,28)/p+1