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

Systemtic Name: 3-methyl-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-(2-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(quinolin-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-(2-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H29N5O/c1-17(2)15-23(29)26-22-9-12-24-28(22)20-10-13-27(14-11-20)16-19-8-7-18-5-3-4-6-21(18)25-19/h3-9,12,17,20H,10-11,13-16H2,1-2H3,(H,26,29)/p+1