2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-methyl-azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-methyl-azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-methyl-ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-methylammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-methyl-ammonium Formula: C27H41N6O3+ MolecularWeight: 497.65284

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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)CCN4C(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+](C)CCN4C(=CC(=N4)C)C

InChI

InChI=1S/C27H40N6O3/c1-5-36-27(35)32-17-15-31(16-18-32)26(34)23-6-8-25(9-7-23)30-12-10-24(11-13-30)29(4)14-19-33-22(3)20-21(2)28-33/h6-9,20,24H,5,10-19H2,1-4H3/p+1