methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(1,3-thiazol-4-ylmethyl)azanium

Systemtic Name: methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: methyl-[(4R)-7-oxo-1-(p-tolylmethyl)azepan-4-yl]-(thiazol-4-ylmethyl)ammonium CAS Name: methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxo-4-azepanyl]-(4-thiazolylmethyl)ammonium IUPAC Name: methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxoazepan-4-yl]-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [(4R)-7-keto-1-(4-methylbenzyl)azepan-4-yl]-methyl-(thiazol-4-ylmethyl)ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+](C)CC3=CSC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+](C)CC3=CSC=N3

InChI

InChI=1S/C19H25N3OS/c1-15-3-5-16(6-4-15)11-22-10-9-18(7-8-19(22)23)21(2)12-17-13-24-14-20-17/h3-6,13-14,18H,7-12H2,1-2H3/p+1/t18-/m1/s1