N-(2-piperidin-1-ium-1-ylethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(2-piperidin-1-ium-1-ylethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(2-piperidin-1-ium-1-ylethyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-(1-piperidin-1-iumyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-(2-piperidin-1-ium-1-ylethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(2-piperidin-1-ium-1-ylethyl)-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CCN2C3=CC=CC=C3OC2=S

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CCN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C17H23N3O2S/c21-16(18-9-13-19-10-4-1-5-11-19)8-12-20-14-6-2-3-7-15(14)22-17(20)23/h2-3,6-7H,1,4-5,8-13H2,(H,18,21)/p+1