3-acetamido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-acetamido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-acetamido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-acetamido-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-acetamido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-acetamido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(27)24-21-12-5-11-20(16-21)23(28)25-22-13-7-15-26(17-22)14-6-10-19-8-3-2-4-9-19/h2-5,8-9,11-12,16,22H,6-7,10,13-15,17H2,1H3,(H,24,27)(H,25,28)/p+1/t22-/m0/s1