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

Systemtic Name: [1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Openeye Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium CAS Name: [1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Traditional Name: [1-[4-(4-carbethoxypiperazine-1-carbonyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium Formula: C27H38N5O3+ MolecularWeight: 480.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCC4=CN=CC=C4

InChI

InChI=1S/C27H37N5O3/c1-2-35-27(34)32-19-17-31(18-20-32)26(33)23-7-9-25(10-8-23)30-15-11-24(12-16-30)29-14-4-6-22-5-3-13-28-21-22/h3,5,7-10,13,21,24,29H,2,4,6,11-12,14-20H2,1H3/p+1