(1S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]cyclohex-3-ene-1-carboxamide Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3CCC=CC3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C20H29N3O/c1-17-6-5-9-19(16-17)23-14-12-22(13-15-23)11-10-21-20(24)18-7-3-2-4-8-18/h2-3,5-6,9,16,18H,4,7-8,10-15H2,1H3,(H,21,24)/p+1/t18-/m1/s1