(4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxy-1-phenyl-3-pyrazolyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxy-1-phenylpyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxy-1-phenyl-pyrazol-3-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5O2/c1-28-19-17-26(18-7-3-2-4-8-18)22-20(19)21(27)25-15-13-24(14-16-25)12-11-23-9-5-6-10-23/h2-4,7-8,17H,5-6,9-16H2,1H3/p+2