6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diisopropyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N,N-di(propan-2-yl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diisopropyl-6-[4-(4-methoxyphenyl)piperazino]pyridin-1-ium-3-sulfonamide Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N(C(C)C)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H32N4O3S/c1-17(2)26(18(3)4)30(27,28)21-10-11-22(23-16-21)25-14-12-24(13-15-25)19-6-8-20(29-5)9-7-19/h6-11,16-18H,12-15H2,1-5H3/p+1