1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-methoxy-2,5-dimethyl-benzyl)piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[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+2