1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C24H36N3+3 MolecularWeight: 366.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3/c1-21-6-5-9-23(18-21)20-26-14-16-27(17-15-26)24-10-12-25(13-11-24)19-22-7-3-2-4-8-22/h2-9,18,24H,10-17,19-20H2,1H3/p+3