1-[(4-ethylphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium CAS Name: 1-[(4-ethylphenyl)methyl]-4-[(3S)-3-methyl-1-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Traditional Name: 1-(4-ethylbenzyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Formula: C20H34N2+2 MolecularWeight: 302.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C20H32N2/c1-3-18-6-8-19(9-7-18)16-21-13-10-20(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,20H,3-5,10-16H2,1-2H3/p+2/t17-/m0/s1