N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide CAS Name: 2-(2-butyl-4,6-diphenyl-1-pyridin-1-iumyl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide IUPAC Name: 2-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide Traditional Name: 2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)acetamide Formula: C30H32N5O3S+ MolecularWeight: 542.67178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31N5O3S/c1-2-3-14-26-19-24(22-10-6-4-7-11-22)20-28(23-12-8-5-9-13-23)35(26)21-29(36)33-25-15-17-27(18-16-25)39(37,38)34-30(31)32/h4-13,15-20H,2-3,14,21H2,1H3,(H4-,31,32,33,34,36)/p+1