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

Systemtic Name: 2-methyl-N-[1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-(benzylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: 2-methyl-N-[1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-(benzylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-(benzylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17-7-5-6-10-20(17)22(27)24-19-11-13-25(14-12-19)16-21(26)23-15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,26)(H,24,27)/p+1