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

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H27N3O3/c1-16-13-19(26-2)20(27-3)14-17(16)15-23-9-11-24(12-10-23)21(25)22-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)/p+1