2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-morpholin-4-ium-4-ylethyl)nicotinamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5S/c26-19(24-15-3-4-17-18(12-15)30-14-29-17)13-31-21-16(2-1-5-23-21)20(27)22-6-7-25-8-10-28-11-9-25/h1-5,12H,6-11,13-14H2,(H,22,27)(H,24,26)/p+1