[(1R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate hydrochloride

Systemtic Name: [(1R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate hydrochloride Openeye Name: [(1R)-2-(1-piperidylmethyl)cycloheptyl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [(1R)-2-(1-piperidinylmethyl)cycloheptyl] ester hydrochloride IUPAC Name: [(1R)-2-(piperidin-1-ylmethyl)cycloheptyl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [(1R)-2-(piperidinomethyl)cycloheptyl] ester hydrochloride Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3CCCCC3.Cl

Isomeric SMILES

C1CC[C@H](C(CC1)CN2CCCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H28N2O4.ClH/c23-20(16-9-11-18(12-10-16)22(24)25)26-19-8-4-1-3-7-17(19)15-21-13-5-2-6-14-21;/h9-12,17,19H,1-8,13-15H2;1H/t17?,19-;/m1./s1