(2-methoxy-2-oxidanylidene-ethyl)-methyl-[(4R)-1-(4-methylpentyl)-7-oxidanylidene-azepan-4-yl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-methyl-[(4R)-1-(4-methylpentyl)-7-oxidanylidene-azepan-4-yl]azanium Openeye Name: [(4R)-1-isohexyl-7-oxo-azepan-4-yl]-(2-methoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: (2-methoxy-2-oxoethyl)-methyl-[(4R)-1-(4-methylpentyl)-7-oxo-4-azepanyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-methyl-[(4R)-1-(4-methylpentyl)-7-oxoazepan-4-yl]azanium Traditional Name: [(4R)-1-isohexyl-7-keto-azepan-4-yl]-(2-keto-2-methoxy-ethyl)-methyl-ammonium Formula: C16H31N2O3+ MolecularWeight: 299.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CCC1=O)[NH+](C)CC(=O)OC

Isomeric SMILES

CC(C)CCCN1CC[C@@H](CCC1=O)[NH+](C)CC(=O)OC

InChI

InChI=1S/C16H30N2O3/c1-13(2)6-5-10-18-11-9-14(7-8-15(18)19)17(3)12-16(20)21-4/h13-14H,5-12H2,1-4H3/p+1/t14-/m1/s1