3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)acetyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-homoveratroyl-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCCN(C1)C(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCCN(C1)C(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H35N3O3/c1-22(2)11-7-12-23(3)18-8-6-13-24(16-18)21(25)15-17-9-10-19(26-4)20(14-17)27-5/h9-10,14,18H,6-8,11-13,15-16H2,1-5H3/p+1/t18-/m0/s1