N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H29N3O3/c1-17-6-11-21(29-2)20(14-17)25-22(27)15-24-23(28)19-9-7-18(8-10-19)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27)/p+1