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

Systemtic Name: N-[2-[1-[(2-chloranyl-3,4-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(2-chloro-3,4-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(2-chloro-3,4-dimethoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C21H28ClN4O3+ MolecularWeight: 419.92502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4)Cl)OC

InChI

InChI=1S/C21H27ClN4O3/c1-28-17-6-5-15(19(22)20(17)29-2)13-25-11-8-16(9-12-25)26-18(7-10-23-26)24-21(27)14-3-4-14/h5-7,10,14,16H,3-4,8-9,11-13H2,1-2H3,(H,24,27)/p+1