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

Systemtic Name: methyl-[(4R)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(4R)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(4R)-7-oxo-1-(2-phenoxyethyl)-4-azepanyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(4R)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: [(4R)-7-keto-1-(2-phenoxyethyl)azepan-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-24(15-12-19-7-5-6-14-23-19)20-10-11-22(26)25(16-13-20)17-18-27-21-8-3-2-4-9-21/h2-9,14,20H,10-13,15-18H2,1H3/p+1/t20-/m1/s1