azepan-1-yl-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C20H31N2O+ MolecularWeight: 315.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O/c1-17-9-4-5-10-18(17)15-21-12-8-11-19(16-21)20(23)22-13-6-2-3-7-14-22/h4-5,9-10,19H,2-3,6-8,11-16H2,1H3/p+1/t19-/m1/s1