4-azanyl-5-chloranyl-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-N-methyl-benzamide disulfate hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-N-methyl-benzamide disulfate hydrate Openeye Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-N-methyl-benzamide disulfate hydrate CAS Name: 4-amino-5-chloro-N-(1-cyclohexyl-3-pyrrolidinyl)-2-methoxy-N-methylbenzamide disulfate hydrate IUPAC Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-N-methylbenzamide disulfate hydrate Traditional Name: 4-amino-5-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-2-methoxy-N-methyl-benzamide disulfate hydrate Formula: C19H30ClN3O11S2-4 MolecularWeight: 576.038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC(=C(C=C3OC)N)Cl.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN(C1CCN(C1)C2CCCCC2)C(=O)C3=CC(=C(C=C3OC)N)Cl.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H28ClN3O2.2H2O4S.H2O/c1-22(14-8-9-23(12-14)13-6-4-3-5-7-13)19(24)15-10-16(20)17(21)11-18(15)25-2;2*1-5(2,3)4;/h10-11,13-14H,3-9,12,21H2,1-2H3;2*(H2,1,2,3,4);1H2/p-4