N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanamide perchlorate

Systemtic Name: N-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanamide perchlorate Openeye Name: N-(4-guanidinosulfonylphenyl)-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanamide perchlorate CAS Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propanamide perchlorate IUPAC Name: N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanamide perchlorate Traditional Name: N-(4-guanidinosulfonylphenyl)-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propionamide perchlorate Formula: C33H30ClN5O7S MolecularWeight: 676.1386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H29N5O3S.ClHO4/c34-33(35)37-42(40,41)29-18-16-28(17-19-29)36-32(39)20-21-38-30(25-12-6-2-7-13-25)22-27(24-10-4-1-5-11-24)23-31(38)26-14-8-3-9-15-26;2-1(3,4)5/h1-19,22-23H,20-21H2,(H4-,34,35,36,37,39);(H,2,3,4,5)