2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]ammonium CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-[1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]ammonium Formula: C26H39N6O3+ MolecularWeight: 483.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCC4=C(NN=C4C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCC4=C(NN=C4C)C

InChI

InChI=1S/C26H38N6O3/c1-4-35-26(34)32-17-15-31(16-18-32)25(33)21-5-7-23(8-6-21)30-13-10-22(11-14-30)27-12-9-24-19(2)28-29-20(24)3/h5-8,22,27H,4,9-18H2,1-3H3,(H,28,29)/p+1