1-cyclopentyl-4-[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonyl-piperazin-2-one

Systemtic Name: 1-cyclopentyl-4-[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidin-3-yl]carbonyl-piperazin-2-one Openeye Name: 1-cyclopentyl-4-[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carbonyl]piperazin-2-one CAS Name: 1-cyclopentyl-4-[[(3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinyl]-oxomethyl]-2-piperazinone IUPAC Name: 1-cyclopentyl-4-[(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carbonyl]piperazin-2-one Traditional Name: 1-cyclopentyl-4-[(3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotoyl]piperazin-2-one Formula: C21H35N4O4+ MolecularWeight: 407.527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2=O)C(=O)C3CCC(=O)N(C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CCC(C1)N2CCN(CC2=O)C(=O)[C@H]3CCC(=O)N(C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H34N4O4/c26-19-6-5-17(15-23(19)8-7-22-11-13-29-14-12-22)21(28)24-9-10-25(20(27)16-24)18-3-1-2-4-18/h17-18H,1-16H2/p+1/t17-/m0/s1