[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone CAS Name: [4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]methanone Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4CC4

Isomeric SMILES

COC1=CC=CC=C1OCC2=CC(=NN2)C(=O)N3CC[NH+](CC3)CC4CC4

InChI

InChI=1S/C20H26N4O3/c1-26-18-4-2-3-5-19(18)27-14-16-12-17(22-21-16)20(25)24-10-8-23(9-11-24)13-15-6-7-15/h2-5,12,15H,6-11,13-14H2,1H3,(H,21,22)/p+1