2-(3-chlorophenyl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(3-chlorophenyl)ethyl-[1-[4-(4-ethoxycarbonylpiperazin-1-yl)carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 2-(3-chlorophenyl)ethyl-[1-[4-(4-ethoxycarbonylpiperazine-1-carbonyl)phenyl]-4-piperidyl]ammonium CAS Name: 2-(3-chlorophenyl)ethyl-[1-[4-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(3-chlorophenyl)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-chlorophenyl)ethyl]ammonium Formula: C27H36ClN4O3+ MolecularWeight: 500.05274

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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=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H35ClN4O3/c1-2-35-27(34)32-18-16-31(17-19-32)26(33)22-6-8-25(9-7-22)30-14-11-24(12-15-30)29-13-10-21-4-3-5-23(28)20-21/h3-9,20,24,29H,2,10-19H2,1H3/p+1