N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-methoxy-benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-5-chloro-2-methoxybenzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-5-chloro-2-methoxybenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-methoxy-benzamide Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NC2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NC2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C15H20ClN3O3/c1-22-13-3-2-10(16)8-12(13)15(21)18-11-4-6-19(7-5-11)9-14(17)20/h2-3,8,11H,4-7,9H2,1H3,(H2,17,20)(H,18,21)/p+1