1,1-dimethyl-3-(1-methylpiperidin-4-yl)indol-1-ium-5-sulfonamide; ethane

Systemtic Name: 1,1-dimethyl-3-(1-methylpiperidin-4-yl)indol-1-ium-5-sulfonamide; ethane Openeye Name: 1,1-dimethyl-3-(1-methyl-4-piperidyl)indol-1-ium-5-sulfonamide; ethane CAS Name: 1,1-dimethyl-3-(1-methyl-4-piperidinyl)-5-indol-1-iumsulfonamide; ethane IUPAC Name: 1,1-dimethyl-3-(1-methylpiperidin-4-yl)indol-1-ium-5-sulfonamide; ethane Traditional Name: 1,1-dimethyl-3-(1-methyl-4-piperidyl)indol-1-ium-5-sulfonamide; ethane Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CC.CN1CCC(CC1)C2=C[N+](C3=C2C=C(C=C3)S(=O)(=O)N)(C)C

Isomeric SMILES

CC.CN1CCC(CC1)C2=C[N+](C3=C2C=C(C=C3)S(=O)(=O)N)(C)C

InChI

InChI=1S/C16H24N3O2S.C2H6/c1-18-8-6-12(7-9-18)15-11-19(2,3)16-5-4-13(10-14(15)16)22(17,20)21;1-2/h4-5,10-12H,6-9H2,1-3H3,(H2,17,20,21);1-2H3/q+1;