2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-quinolin-3-ylcarbonylpiperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-quinolin-3-ylcarbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(quinoline-3-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo(3-quinolinyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(quinoline-3-carbonyl)-3-piperidyl]ammonium Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C26H31N3O3/c1-28(14-12-19-10-11-24(31-2)25(15-19)32-3)22-8-6-13-29(18-22)26(30)21-16-20-7-4-5-9-23(20)27-17-21/h4-5,7,9-11,15-17,22H,6,8,12-14,18H2,1-3H3/p+1/t22-/m0/s1