2-[4-[(3S)-1-cyclopropyl-6-oxidanylidene-piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(3S)-1-cyclopropyl-6-oxidanylidene-piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(3S)-1-cyclopropyl-6-oxo-piperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[(3S)-1-cyclopropyl-6-oxo-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3S)-1-cyclopropyl-6-oxopiperidine-3-carbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(3S)-1-cyclopropyl-6-keto-nipecotoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H31N4O3+ MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCC(=O)N(C2)C3CC3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)C3CC3

InChI

InChI=1S/C18H30N4O3/c1-13(2)19-16(23)12-20-7-9-21(10-8-20)18(25)14-3-6-17(24)22(11-14)15-4-5-15/h13-15H,3-12H2,1-2H3,(H,19,23)/p+1/t14-/m0/s1