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

Systemtic Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Formula: C19H34N3+3 MolecularWeight: 304.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H31N3/c1-3-17-4-6-18(7-5-17)16-21-10-8-19(9-11-21)22-14-12-20(2)13-15-22/h4-7,19H,3,8-16H2,1-2H3/p+3