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

Systemtic Name: methyl-[(4S)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: methyl-[(4S)-7-oxo-1-(p-tolylmethyl)azepan-4-yl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[(4S)-1-[(4-methylphenyl)methyl]-7-oxo-4-azepanyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[(4S)-1-[(4-methylphenyl)methyl]-7-oxoazepan-4-yl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [(4S)-7-keto-1-(4-methylbenzyl)azepan-4-yl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+](C)C(C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@H](CCC2=O)[NH+](C)[C@@H](C)C3=CC=CS3

InChI

InChI=1S/C21H28N2OS/c1-16-6-8-18(9-7-16)15-23-13-12-19(10-11-21(23)24)22(3)17(2)20-5-4-14-25-20/h4-9,14,17,19H,10-13,15H2,1-3H3/p+1/t17-,19-/m0/s1