4-methylbenzenesulfonic acid; 1-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-1-ium-4-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-1-ium-4-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-1-ium-4-amine CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-1-ium-4-amine IUPAC Name: 4-methylbenzenesulfonic acid; 1-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-1-ium-4-amine Traditional Name: (1-methyl-3,5,6,7-tetrahydro-2H-1-pyrindin-1-ium-4-yl)amine; tosylic acid Formula: C16H23N2O3S+ MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=C2CCCC2=C(CC1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=C2CCCC2=C(CC1)N

InChI

InChI=1S/C9H14N2.C7H8O3S/c1-11-6-5-8(10)7-3-2-4-9(7)11;1-6-2-4-7(5-3-6)11(8,9)10/h10H,2-6H2,1H3;2-5H,1H3,(H,8,9,10)/p+1