N-(3-methylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-17-6-5-9-19(16-17)21-20(24)23-14-12-22(13-15-23)11-10-18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1