[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C24H35N6O3+ MolecularWeight: 455.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCN4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCN4C=CC=N4

InChI

InChI=1S/C24H34N6O3/c1-2-33-24(32)29-18-16-28(17-19-29)23(31)20-4-6-22(7-5-20)27-13-8-21(9-14-27)25-11-15-30-12-3-10-26-30/h3-7,10,12,21,25H,2,8-9,11,13-19H2,1H3/p+1