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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-4-(3-phenylpropyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]-4-(3-phenylpropyl)piperazin-4-ium-2-one Formula: C24H33N6O2+ MolecularWeight: 437.55782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C24H32N6O2/c31-22(29-14-6-15-30(18-17-29)24-26-10-5-11-27-24)19-21-23(32)25-12-16-28(21)13-4-9-20-7-2-1-3-8-20/h1-3,5,7-8,10-11,21H,4,6,9,12-19H2,(H,25,32)/p+1/t21-/m1/s1