N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: homoveratryl-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

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