2-chloranyl-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]benzamide Openeye Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-chlorobenzamide Traditional Name: N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-2-chloro-benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CNC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)24-17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)/p+1