N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CCN2C3=CC=CC=C3OC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CCN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C19H27N3O2S/c1-15-7-12-21(13-8-15)11-4-10-20-18(23)9-14-22-16-5-2-3-6-17(16)24-19(22)25/h2-3,5-6,15H,4,7-14H2,1H3,(H,20,23)/p+1