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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-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)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

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