3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C20H29ClN5O+ MolecularWeight: 390.93016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3)Cl)C

InChI

InChI=1S/C20H28ClN5O/c1-15-18(20(21)25(2)24-15)14-26-10-7-16(8-11-26)5-6-19(27)23-13-17-4-3-9-22-12-17/h3-4,9,12,16H,5-8,10-11,13-14H2,1-2H3,(H,23,27)/p+1