[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[3-(indan-5-ylamino)-3-oxo-propyl]ammonium CAS Name: [3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-(2-hydroxyethyl)-[3-(indan-5-ylamino)-3-keto-propyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CC[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CC[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-14-13-23(16-17-5-2-1-3-6-17)12-11-21(25)22-20-10-9-18-7-4-8-19(18)15-20/h1-3,5-6,9-10,15,24H,4,7-8,11-14,16H2,(H,22,25)/p+1