1,1-diethyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium

Systemtic Name: 1,1-diethyl-4-[(3-methylphenyl)-phenyl-methyl]piperazin-1-ium Openeye Name: 1,1-diethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium CAS Name: 1,1-diethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium IUPAC Name: 1,1-diethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium Traditional Name: 1,1-diethyl-4-[m-tolyl(phenyl)methyl]piperazin-1-ium Formula: C22H31N2+ MolecularWeight: 323.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C)CC

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC(=C3)C)CC

InChI

InChI=1S/C22H31N2/c1-4-24(5-2)16-14-23(15-17-24)22(20-11-7-6-8-12-20)21-13-9-10-19(3)18-21/h6-13,18,22H,4-5,14-17H2,1-3H3/q+1