1-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-indan-2-yl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-indan-2-yl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CCOC2=CC=CC=C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CCOC2=CC=CC=C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O2/c25-22-10-11-23(20-16-18-6-4-5-7-19(18)17-20)12-13-24(22)14-15-26-21-8-2-1-3-9-21/h1-9,20H,10-17H2/p+1