methyl 1-[(3S,5S)-5-(azepan-1-ylcarbonyl)-1-cyclopentyl-pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(3S,5S)-5-(azepan-1-ylcarbonyl)-1-cyclopentyl-pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(3S,5S)-5-(azepane-1-carbonyl)-1-cyclopentyl-pyrrolidin-1-ium-3-yl]triazole-4-carboxylate CAS Name: 1-[(3S,5S)-5-[1-azepanyl(oxo)methyl]-1-cyclopentyl-3-pyrrolidin-1-iumyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S,5S)-5-(azepane-1-carbonyl)-1-cyclopentylpyrrolidin-1-ium-3-yl]triazole-4-carboxylate Traditional Name: 1-[(3S,5S)-5-(azepane-1-carbonyl)-1-cyclopentyl-pyrrolidin-1-ium-3-yl]triazole-4-carboxylic acid methyl ester Formula: C20H32N5O3+ MolecularWeight: 390.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)C2CC([NH+](C2)C3CCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CN(N=N1)[C@H]2C[C@H]([NH+](C2)C3CCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C20H31N5O3/c1-28-20(27)17-14-25(22-21-17)16-12-18(24(13-16)15-8-4-5-9-15)19(26)23-10-6-2-3-7-11-23/h14-16,18H,2-13H2,1H3/p+1/t16-,18-/m0/s1