[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3,4-dimethoxyphenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3,4-dimethoxyphenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3,4-dimethoxyphenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3,4-dimethoxyphenyl)ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3,4-dimethoxyphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3,4-dimethoxyphenyl)ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)[NH2+]C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H26N2O3/c1-13(17(20)19-10-6-4-5-7-11-19)18-14-8-9-15(21-2)16(12-14)22-3/h8-9,12-13,18H,4-7,10-11H2,1-3H3/p+1/t13-/m1/s1