3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C18H24ClN3O3/c1-2-8-21-9-5-14(6-10-21)20-17(23)7-11-22-15-4-3-13(19)12-16(15)25-18(22)24/h3-4,12,14H,2,5-11H2,1H3,(H,20,23)/p+1