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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-ethylbenzyl)piperazine-1,4-diium Formula: C25H38N3+3 MolecularWeight: 380.58932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3/c1-2-22-8-10-24(11-9-22)21-27-16-18-28(19-17-27)25-12-14-26(15-13-25)20-23-6-4-3-5-7-23/h3-11,25H,2,12-21H2,1H3/p+3