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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(3-ethoxy-3-oxo-propyl)carbamoyl]-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-[(3-ethoxy-3-oxopropyl)carbamoyl]piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-[(3-ethoxy-3-keto-propyl)carbamoyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C22H36N3O5+ MolecularWeight: 422.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5/c1-5-30-21(26)10-12-23-22(27)25-13-6-7-18(16-25)24(2)14-11-17-8-9-19(28-3)20(15-17)29-4/h8-9,15,18H,5-7,10-14,16H2,1-4H3,(H,23,27)/p+1/t18-/m0/s1