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

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,4-dimethyl-6-propan-2-yl-pyridin-1-ium-1-yl)propanamide Openeye Name: N-(4-guanidinosulfonylphenyl)-3-(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)propanamide CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,4-dimethyl-6-propan-2-yl-1-pyridin-1-iumyl)propanamide IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)propanamide Traditional Name: N-(4-guanidinosulfonylphenyl)-3-(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)propionamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C

InChI

InChI=1S/C20H27N5O3S/c1-13(2)18-12-14(3)11-15(4)25(18)10-9-19(26)23-16-5-7-17(8-6-16)29(27,28)24-20(21)22/h5-8,11-13H,9-10H2,1-4H3,(H4-,21,22,23,24,26)/p+1