2-(1-methylpyrrol-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(1-methylpyrrol-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(1-methylpyrrol-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(1-methyl-3-pyrrolyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(1-methylpyrrol-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(1-methylpyrrol-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Formula: C21H30N3O+ MolecularWeight: 340.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC(=C1)CC(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-23-14-11-19(16-23)15-21(25)22-20-10-6-13-24(17-20)12-5-9-18-7-3-2-4-8-18/h2-4,7-8,11,14,16,20H,5-6,9-10,12-13,15,17H2,1H3,(H,22,25)/p+1/t20-/m0/s1