N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(3-keto-4H-1,4-benzoxazin-6-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H23N3O3/c25-20-14-27-19-9-8-17(12-18(19)23-20)22-21(26)16-6-4-15(5-7-16)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,22,26)(H,23,25)/p+1