1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-methoxy-3-methylphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(4-methoxy-3-methyl-benzyl)piperazine-1,4-diium Formula: C20H28N2O+2 MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N2O/c1-17-14-19(8-9-20(17)23-2)16-22-12-10-21(11-13-22)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3/p+2