2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-[(2-ethoxy-2-keto-ethyl)carbamoyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C21H34N3O5+ MolecularWeight: 408.51176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCC(C1)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCC[C@@H](C1)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H33N3O5/c1-5-29-20(25)14-22-21(26)24-11-6-7-17(15-24)23(2)12-10-16-8-9-18(27-3)19(13-16)28-4/h8-9,13,17H,5-7,10-12,14-15H2,1-4H3,(H,22,26)/p+1/t17-/m0/s1