N-[1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide

Systemtic Name: N-[1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Openeye Name: N-[1-[2-(3-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide CAS Name: N-[1-[2-(3-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[1-[2-(3-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide Traditional Name: N-[1-[2-keto-2-(m-anisidino)ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O3/c1-16-6-3-4-9-20(16)22(27)24-17-10-12-25(13-11-17)15-21(26)23-18-7-5-8-19(14-18)28-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/p+1