N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-4-azanyl-5-chloranyl-2-methoxy-benzamide dihydrate hydrochloride

Systemtic Name: N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-4-azanyl-5-chloranyl-2-methoxy-benzamide dihydrate hydrochloride Openeye Name: 4-amino-N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-5-chloro-2-methoxy-benzamide dihydrate hydrochloride CAS Name: 4-amino-N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-5-chloro-2-methoxybenzamide dihydrate hydrochloride IUPAC Name: 4-amino-N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-5-chloro-2-methoxybenzamide dihydrate hydrochloride Traditional Name: 4-amino-N-[(3S)-1-azabicyclo[3.3.1]nonan-3-yl]-5-chloro-2-methoxy-benzamide dihydrate hydrochloride Formula: C16H27Cl2N3O4 MolecularWeight: 396.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CC3CCCN(C3)C2)Cl)N.O.O.Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N[C@H]2CC3CCCN(C2)C3)Cl)N.O.O.Cl

InChI

InChI=1S/C16H22ClN3O2.ClH.2H2O/c1-22-15-7-14(18)13(17)6-12(15)16(21)19-11-5-10-3-2-4-20(8-10)9-11;;;/h6-7,10-11H,2-5,8-9,18H2,1H3,(H,19,21);1H;2*1H2/t10?,11-;;;/m0.../s1