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

Systemtic Name: N-[1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Openeye Name: N-[1-(4-dodecylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate CAS Name: N-[1-(4-dodecylphenyl)ethylideneamino]-1-methyl-3-pyridin-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: N-[1-(4-dodecylphenyl)ethylideneamino]-1-methylpyridin-1-ium-3-carboxamide; 4-methylbenzenesulfonate Traditional Name: N-[1-(4-laurylphenyl)ethylideneamino]-1-methyl-pyridin-1-ium-3-carboxamide tosylate Formula: C34H47N3O4S MolecularWeight: 593.81968

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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(=NNC(=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)