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

Systemtic Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(3-phenylpropyl)acetamide Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCC[NH+]2CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O/c1-22-14-6-11-18(22)19-12-7-15-23(19)16-20(24)21-13-5-10-17-8-3-2-4-9-17/h2-4,6,8-9,11,14,19H,5,7,10,12-13,15-16H2,1H3,(H,21,24)/p+1/t19-/m0/s1