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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-17-8-9-20(26-2)19(14-17)16-23-10-12-24(13-11-23)21(25)22-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1