N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(indan-5-ylamino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(indan-5-ylamino)-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H34N4O2/c1-22(2,3)24-21(28)16-26-11-5-10-25(12-13-26)15-20(27)23-19-9-8-17-6-4-7-18(17)14-19/h8-9,14H,4-7,10-13,15-16H2,1-3H3,(H,23,27)(H,24,28)/p+1