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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-(3-phenylpropyl)-4-(p-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(4-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=C(C=C1)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

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