2-[1-[[1-(4-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[[1-(4-pyrrolidin-1-ylcarbonylpyridin-2-yl)piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[[1-[4-(pyrrolidine-1-carbonyl)-2-pyridyl]-4-piperidyl]methyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[[1-[4-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-4-piperidinyl]methyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[[1-[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidin-4-yl]methyl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[[1-[4-(pyrrolidine-1-carbonyl)-2-pyridyl]-4-piperidyl]methyl]triazol-4-yl]ethyl]ammonium Formula: C21H32N7O+ MolecularWeight: 398.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)CC2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCC4)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)CC2CCN(CC2)C3=NC=CC(=C3)C(=O)N4CCCC4)[NH3+]

InChI

InChI=1S/C21H31N7O/c1-21(2,22)18-15-28(25-24-18)14-16-6-11-26(12-7-16)19-13-17(5-8-23-19)20(29)27-9-3-4-10-27/h5,8,13,15-16H,3-4,6-7,9-12,14,22H2,1-2H3/p+1