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

Systemtic Name: N-[2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)O

InChI

InChI=1S/C21H28N4O3/c1-2-28-19-13-15(3-6-18(19)26)14-24-11-8-17(9-12-24)25-20(7-10-22-25)23-21(27)16-4-5-16/h3,6-7,10,13,16-17,26H,2,4-5,8-9,11-12,14H2,1H3,(H,23,27)/p+1