1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(4-methoxy-2,5-dimethyl-benzyl)piperazin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H28N2O/c1-17-14-21(24-3)18(2)13-20(17)16-23-11-9-22(10-12-23)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1