6-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[methyl-(4-piperidinobenzyl)amino]pyridin-1-ium-3-sulfonamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H24N4O2S/c1-21(18-10-9-17(13-20-18)25(19,23)24)14-15-5-7-16(8-6-15)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H2,19,23,24)/p+1