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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-pyridylsulfonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-pyridinylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-pyridin-3-ylsulfonylpiperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(3-pyridylsulfonyl)-3-piperidyl]ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-23(13-10-17-8-9-20(27-2)21(14-17)28-3)18-6-5-12-24(16-18)29(25,26)19-7-4-11-22-15-19/h4,7-9,11,14-15,18H,5-6,10,12-13,16H2,1-3H3/p+1/t18-/m0/s1