(3R)-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C25H35N5O2+2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C25H33N5O2/c31-24(30-13-5-12-28(16-17-30)20-22-8-4-10-26-19-22)18-23-25(32)27-11-15-29(23)14-9-21-6-2-1-3-7-21/h1-4,6-8,10,19,23H,5,9,11-18,20H2,(H,27,32)/p+2/t23-/m1/s1