N-(2-methoxy-5-methyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(2-methoxy-5-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(2-methoxy-5-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(2-methoxy-5-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-16-8-9-19(25-2)18(14-16)21-20(24)23-12-10-22(11-13-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1