(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)methyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C23H36ClN5+2 MolecularWeight: 418.01844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4=CN=CC=C4)Cl)C

InChI

InChI=1S/C23H34ClN5/c1-18-22(23(24)27(2)26-18)17-28(16-20-6-5-11-25-14-20)15-19-9-12-29(13-10-19)21-7-3-4-8-21/h5-6,11,14,19,21H,3-4,7-10,12-13,15-17H2,1-2H3/p+2