N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenoxy-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenoxy-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-phenoxy-propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-phenoxypropanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenoxypropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-phenoxy-propionamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O2/c26-23(12-14-27-22-10-2-1-3-11-22)24-20-9-6-13-25(17-20)21-15-18-7-4-5-8-19(18)16-21/h1-5,7-8,10-11,20-21H,6,9,12-17H2,(H,24,26)/p+1/t20-/m0/s1