N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 2-(4-methoxyphenyl)ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O3S/c1-25-17-7-5-16(6-8-17)11-12-20-19-10-9-18(15-21-19)26(23,24)22-13-3-2-4-14-22/h5-10,15H,2-4,11-14H2,1H3,(H,20,21)/p+1