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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)propanamide Openeye Name: 3-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)propanamide Traditional Name: 3-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)-N-(4-guanidinosulfonylphenyl)propionamide Formula: C25H30N5O3S+ MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)CC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)CC)C3=CC=CC=C3

InChI

InChI=1S/C25H29N5O3S/c1-3-21-16-19(18-8-6-5-7-9-18)17-22(4-2)30(21)15-14-24(31)28-20-10-12-23(13-11-20)34(32,33)29-25(26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H4-,26,27,28,29,31)/p+1