N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(E)-1-(4-dodecylphenyl)ethylideneamino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(E)-1-(4-laurylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; tosylic acid Formula: C34H48N3O4S+ MolecularWeight: 594.82762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=NNC(=O)C2=C[N+](=CC=C2)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)/C(=N/NC(=O)C2=C[N+](=CC=C2)C)/C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C27H39N3O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-15-24-17-19-25(20-18-24)23(2)28-29-27(31)26-16-14-21-30(3)22-26;1-6-2-4-7(5-3-6)11(8,9)10/h14,16-22H,4-13,15H2,1-3H3;2-5H,1H3,(H,8,9,10)/p+1/b28-23+;