3-methyl-N-[2-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-(5-quinolinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-(5-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=C4C=CC=NC4=CC=C3

Isomeric SMILES

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

InChI

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