[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-(3-pyrazol-1-ylpropyl)azanium

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C25H37N6O3+ MolecularWeight: 469.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C=CC=N4

InChI

InChI=1S/C25H36N6O3/c1-2-34-25(33)30-19-17-29(18-20-30)24(32)21-5-7-23(8-6-21)28-15-9-22(10-16-28)26-11-3-13-31-14-4-12-27-31/h4-8,12,14,22,26H,2-3,9-11,13,15-20H2,1H3/p+1