3-phenyl-1-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one Openeye Name: 3-phenyl-1-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one CAS Name: 1-[(2R)-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-6-azaspiro[2.5]octan-6-yl]-3-phenyl-2-propyn-1-one IUPAC Name: 3-phenyl-1-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one Traditional Name: 3-phenyl-1-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]prop-2-yn-1-one Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C[C@H]2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c31-24(10-9-21-6-2-1-3-7-21)29-14-11-26(12-15-29)20-22(26)25(32)30-18-16-28(17-19-30)23-8-4-5-13-27-23/h1-8,13,22H,11-12,14-20H2/p+1/t22-/m0/s1