(3R)-3-[2-oxidanylidene-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[2-keto-2-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O2/c1-19(2)27-15-11-24-23(29)21(27)18-22(28)26-14-7-13-25(16-17-26)12-6-10-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,24,29)/p+2/t21-/m1/s1