methyl-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(4S)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(4S)-7-oxo-1-(2-phenoxyethyl)-4-azepanyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(4S)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(4S)-7-keto-1-(2-phenoxyethyl)azepan-4-yl]-methyl-(2-thenyl)ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CS1)[C@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-21(16-19-8-5-15-25-19)17-9-10-20(23)22(12-11-17)13-14-24-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3/p+1/t17-/m0/s1