[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-[(2S)-2-pyridin-3-yloxypropyl]azanium

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-[(2S)-2-pyridin-3-yloxypropyl]azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-[(2S)-2-(3-pyridyloxy)propyl]ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-[(2S)-2-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-[(2S)-2-pyridin-3-yloxypropyl]azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-[(2S)-2-(3-pyridyloxy)propyl]ammonium Formula: C27H38N5O4+ MolecularWeight: 496.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC(C)OC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C[C@H](C)OC4=CN=CC=C4

InChI

InChI=1S/C27H37N5O4/c1-3-35-27(34)32-17-15-31(16-18-32)26(33)22-6-8-24(9-7-22)30-13-10-23(11-14-30)29-19-21(2)36-25-5-4-12-28-20-25/h4-9,12,20-21,23,29H,3,10-11,13-19H2,1-2H3/p+1/t21-/m0/s1