3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O3/c23-17-6-7-19-20(14-17)29-22(28)26(19)13-10-21(27)24-18-8-11-25(12-9-18)15-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2,(H,24,27)/p+1