1-[(2-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-(o-tolylmethyl)-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(2-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(2-methylbenzyl)-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-19-8-5-6-12-21(19)18-23-16-14-22(15-17-23)13-7-11-20-9-3-2-4-10-20/h2-6,8-10,12H,7,11,13-18H2,1H3/p+2