[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C28H38N6O+2 MolecularWeight: 474.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C28H36N6O/c1-2-31-17-19-33(20-18-31)28(35)24-7-9-26(10-8-24)32-15-11-25(12-16-32)29-22-23-5-3-6-27(21-23)34-14-4-13-30-34/h3-10,13-14,21,25,29H,2,11-12,15-20,22H2,1H3/p+2