6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C18H26N4O3S+2 MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H24N4O3S/c1-14-3-5-17(25-2)15(11-14)13-21-7-9-22(10-8-21)18-6-4-16(12-20-18)26(19,23)24/h3-6,11-12H,7-10,13H2,1-2H3,(H2,19,23,24)/p+2