(4-methylpiperazin-4-ium-1-yl)-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C25H34N6O+2 MolecularWeight: 434.57706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C25H32N6O/c1-27-15-17-30(18-16-27)25(32)21-9-13-28(14-10-21)20-22-19-26-31(23-7-3-2-4-8-23)24(22)29-11-5-6-12-29/h2-8,11-12,19,21H,9-10,13-18,20H2,1H3/p+2