N-[(E)-[(E)-but-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[(E)-[(E)-but-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(E)-[(E)-but-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[(E)-[(E)-but-2-enylidene]amino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(E)-[(E)-but-2-enylidene]amino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(E)-[(E)-but-2-enylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; tosylic acid Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=N/NC(=O)C1=C[N+](=CC=C1)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H13N3O.C7H8O3S/c1-3-4-7-12-13-11(15)10-6-5-8-14(2)9-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,1-2H3;2-5H,1H3,(H,8,9,10)/p+1/b4-3+,12-7+;