methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: isoxazol-3-ylmethyl-methyl-[(4R)-7-oxo-1-(p-tolylmethyl)azepan-4-yl]ammonium CAS Name: 3-isoxazolylmethyl-methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxo-4-azepanyl]ammonium IUPAC Name: methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxoazepan-4-yl]-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: isoxazol-3-ylmethyl-[(4R)-7-keto-1-(4-methylbenzyl)azepan-4-yl]-methyl-ammonium Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+](C)CC3=NOC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+](C)CC3=NOC=C3

InChI

InChI=1S/C19H25N3O2/c1-15-3-5-16(6-4-15)13-22-11-9-18(7-8-19(22)23)21(2)14-17-10-12-24-20-17/h3-6,10,12,18H,7-9,11,13-14H2,1-2H3/p+1/t18-/m1/s1