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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-2-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)ethanamide Openeye Name: N-(4-guanidinosulfonylphenyl)-2-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)acetamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(4-phenyl-2,6-dipropyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(4-guanidinosulfonylphenyl)-2-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)acetamide Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)CCC)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)CCC)C3=CC=CC=C3

InChI

InChI=1S/C26H31N5O3S/c1-3-8-22-16-20(19-10-6-5-7-11-19)17-23(9-4-2)31(22)18-25(32)29-21-12-14-24(15-13-21)35(33,34)30-26(27)28/h5-7,10-17H,3-4,8-9,18H2,1-2H3,(H4-,27,28,29,30,32)/p+1