N-(4-aminocarbonylphenyl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzamide Openeye Name: N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzamide CAS Name: N-(4-carbamoylphenyl)-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzamide Traditional Name: N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25N3O2/c1-15-3-2-12-24(13-15)14-16-4-6-18(7-5-16)21(26)23-19-10-8-17(9-11-19)20(22)25/h4-11,15H,2-3,12-14H2,1H3,(H2,22,25)(H,23,26)/p+1/t15-/m0/s1