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

Systemtic Name: (3R)-4-cyclopentyl-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-cyclopentyl-3-[2-keto-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Formula: C22H35N5O2+2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H33N5O2/c28-21(15-20-22(29)24-9-12-27(20)19-6-1-2-7-19)26-11-4-10-25(13-14-26)17-18-5-3-8-23-16-18/h3,5,8,16,19-20H,1-2,4,6-7,9-15,17H2,(H,24,29)/p+2/t20-/m1/s1