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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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