N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(2-methyl-4-pyrazol-1-yl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

InChI

InChI=1S/C23H28N6O/c1-17-15-21(28-12-2-10-24-28)6-5-19(17)16-27-13-8-20(9-14-27)29-22(7-11-25-29)26-23(30)18-3-4-18/h2,5-7,10-12,15,18,20H,3-4,8-9,13-14,16H2,1H3,(H,26,30)/p+1