N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H36N5O2+ MolecularWeight: 414.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H35N5O2/c1-23(2,3)26-22(30)17-28-12-6-11-27(13-14-28)16-21(29)24-10-9-18-15-25-20-8-5-4-7-19(18)20/h4-5,7-8,15,25H,6,9-14,16-17H2,1-3H3,(H,24,29)(H,26,30)/p+1