N-tert-butyl-2-[4-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C25H36N4O2/c1-19(21-12-7-10-20-9-5-6-11-22(20)21)26-23(30)17-28-13-8-14-29(16-15-28)18-24(31)27-25(2,3)4/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,26,30)(H,27,31)/p+1/t19-/m1/s1