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

Systemtic Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(4R)-1-(m-tolylmethyl)-7-oxo-azepan-4-yl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxo-4-azepanyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(4R)-1-[(3-methylphenyl)methyl]-7-oxoazepan-4-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(4R)-7-keto-1-(3-methylbenzyl)azepan-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CCC2=O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[C@@H](CCC2=O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O/c1-18-6-5-7-19(16-18)17-25-15-12-21(9-10-22(25)26)24(2)14-11-20-8-3-4-13-23-20/h3-8,13,16,21H,9-12,14-15,17H2,1-2H3/p+1/t21-/m1/s1