(5R)-1-[(3-methylphenyl)methyl]-5-piperidin-1-ium-1-yl-azepan-2-one

Systemtic Name: (5R)-1-[(3-methylphenyl)methyl]-5-piperidin-1-ium-1-yl-azepan-2-one Openeye Name: (5R)-1-(m-tolylmethyl)-5-piperidin-1-ium-1-yl-azepan-2-one CAS Name: (5R)-1-[(3-methylphenyl)methyl]-5-(1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5R)-1-[(3-methylphenyl)methyl]-5-piperidin-1-ium-1-ylazepan-2-one Traditional Name: (5R)-1-(3-methylbenzyl)-5-piperidin-1-ium-1-yl-azepan-2-one Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CCC2=O)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCCCC3

InChI

InChI=1S/C19H28N2O/c1-16-6-5-7-17(14-16)15-21-13-10-18(8-9-19(21)22)20-11-3-2-4-12-20/h5-7,14,18H,2-4,8-13,15H2,1H3/p+1/t18-/m1/s1