(1-butylpiperidin-4-yl)methyl 5-azanyl-6-chloranyl-3,4-dihydro-2H-chromene-8-carboxylate hydrochloride

Systemtic Name: (1-butylpiperidin-4-yl)methyl 5-azanyl-6-chloranyl-3,4-dihydro-2H-chromene-8-carboxylate hydrochloride Openeye Name: (1-butyl-4-piperidyl)methyl 5-amino-6-chloro-chromane-8-carboxylate hydrochloride CAS Name: 5-amino-6-chloro-3,4-dihydro-2H-1-benzopyran-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester hydrochloride IUPAC Name: (1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-3,4-dihydro-2H-chromene-8-carboxylate hydrochloride Traditional Name: 5-amino-6-chloro-chroman-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester hydrochloride Formula: C20H30Cl2N2O3 MolecularWeight: 417.3698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCC3)N)Cl.Cl

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCC3)N)Cl.Cl

InChI

InChI=1S/C20H29ClN2O3.ClH/c1-2-3-8-23-9-6-14(7-10-23)13-26-20(24)16-12-17(21)18(22)15-5-4-11-25-19(15)16;/h12,14H,2-11,13,22H2,1H3;1H