methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(2-methylpropyl)azanium

Systemtic Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(2-methylpropyl)azanium Openeye Name: isobutyl-methyl-[(4R)-1-(m-tolylmethyl)-7-oxo-azepan-4-yl]ammonium CAS Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxo-4-azepanyl]-(2-methylpropyl)ammonium IUPAC Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxoazepan-4-yl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[(4R)-7-keto-1-(3-methylbenzyl)azepan-4-yl]-methyl-ammonium Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O/c1-15(2)13-20(4)18-8-9-19(22)21(11-10-18)14-17-7-5-6-16(3)12-17/h5-7,12,15,18H,8-11,13-14H2,1-4H3/p+1/t18-/m1/s1