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

Systemtic Name: 2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18-8-7-15-26(16-18)17-22(27)25-21-12-6-5-11-20(21)23(28)24-14-13-19-9-3-2-4-10-19/h2-6,9-12,18H,7-8,13-17H2,1H3,(H,24,28)(H,25,27)/p+1/t18-/m0/s1