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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC[C@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H30N2O/c1-17-8-6-9-18(14-17)15-21-11-7-10-19(16-21)20(23)22-12-4-2-3-5-13-22/h6,8-9,14,19H,2-5,7,10-13,15-16H2,1H3/p+1/t19-/m1/s1