N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanamide

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanamide Openeye Name: N-(4-guanidinosulfonylphenyl)-3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(4-phenyl-2,6-dipropyl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)propanamide Traditional Name: N-(4-guanidinosulfonylphenyl)-3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propionamide Formula: C27H34N5O3S+ MolecularWeight: 508.65556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3S/c1-3-8-23-18-21(20-10-6-5-7-11-20)19-24(9-4-2)32(23)17-16-26(33)30-22-12-14-25(15-13-22)36(34,35)31-27(28)29/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H4-,28,29,30,31,33)/p+1