[2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]indan-2-yl]-methyl-ammonium CAS Name: [2-[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]-methylazanium Traditional Name: benzyl-[2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]indan-2-yl]-methyl-ammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NCCC4=CN=CN4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C23H26N4O/c1-27(16-18-7-3-2-4-8-18)23(13-19-9-5-6-10-20(19)14-23)22(28)25-12-11-21-15-24-17-26-21/h2-10,15,17H,11-14,16H2,1H3,(H,24,26)(H,25,28)/p+1