N-[2-[1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(6-chloro-2-quinolinyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C23H29ClN5O+ MolecularWeight: 426.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN5O/c1-16(2)13-23(30)27-22-7-10-25-29(22)20-8-11-28(12-9-20)15-19-5-3-17-14-18(24)4-6-21(17)26-19/h3-7,10,14,16,20H,8-9,11-13,15H2,1-2H3,(H,27,30)/p+1