N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC(=O)N2CCCCCC2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)N2CCCCCC2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H38N4O3/c1-20(2)24(26-22(30)18-21-10-6-5-7-11-21)25(32)29-16-14-27(15-17-29)19-23(31)28-12-8-3-4-9-13-28/h5-7,10-11,20,24H,3-4,8-9,12-19H2,1-2H3,(H,26,30)/p+1/t24-/m0/s1