3-(3-chloranyl-4-methyl-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: 3-(3-chloro-4-methyl-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: 3-(3-chloro-4-methyl-phenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O/c1-18-7-8-19(17-21(18)23)9-10-22(27)24-11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3,(H,24,27)/p+1