methyl (1S)-4-methyl-3-oxidanylidene-8-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonyl-4,8-diazaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonyl-4,8-diazaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-methyl-3-oxo-8-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]-4,8-diazaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-[oxo-[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]-4,8-diazaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]-4,8-diazaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-methyl-8-[(3S)-1-pyridin-1-ium-2-ylnipecotoyl]-4,8-diazaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CCN(CC2)C(=O)C3CCCN(C3)C4=CC=CC=[NH+]4)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=CC=CC=[NH+]4)C(=O)OC

InChI

InChI=1S/C22H30N4O4/c1-24-19(27)14-17(21(29)30-2)22(24)8-12-25(13-9-22)20(28)16-6-5-11-26(15-16)18-7-3-4-10-23-18/h3-4,7,10,16-17H,5-6,8-9,11-15H2,1-2H3/p+1/t16-,17+/m0/s1