[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C24H35N6O3+ MolecularWeight: 455.5731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)CC4=CC=NN4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)CC4=CC=NN4

InChI

InChI=1S/C24H34N6O3/c1-3-33-24(32)30-16-14-29(15-17-30)23(31)19-4-6-22(7-5-19)28-12-9-21(10-13-28)27(2)18-20-8-11-25-26-20/h4-8,11,21H,3,9-10,12-18H2,1-2H3,(H,25,26)/p+1