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

Systemtic Name: N-[(Z)-[(2E)-2-heptylidenecyclopentylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(Z)-[(2E)-2-heptylidenecyclopentylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[(Z)-[(2E)-2-heptylidenecyclopentylidene]amino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(Z)-[(2E)-2-heptylidenecyclopentylidene]amino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(Z)-[(2E)-2-heptylidenecyclopentylidene]amino]-1-methyl-pyridin-1-ium-3-carboxamide; tosylic acid Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=C1CCCC1=NNC(=O)C2=C[N+](=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C/1\CCC\C1=N\NC(=O)C2=C[N+](=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H27N3O.C7H8O3S/c1-3-4-5-6-7-10-16-11-8-13-18(16)20-21-19(23)17-12-9-14-22(2)15-17;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,12,14-15H,3-8,11,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/p+1/b16-10+,20-18-;