[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H29N3O4S/c1-4-23(15-17-9-11-22-12-10-17)18-6-5-13-24(16-18)29(25,26)19-7-8-20(27-2)21(14-19)28-3/h7-12,14,18H,4-6,13,15-16H2,1-3H3/p+1/t18-/m0/s1