N-(3-methylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide CAS Name: N-(3-methylphenyl)-2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-(m-tolyl)benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N3O2/c1-16-7-5-9-18(13-16)23-22(27)19-10-3-4-11-20(19)24-21(26)15-25-12-6-8-17(2)14-25/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t17-/m0/s1