2-dimethylaminoethyl 4-(butylamino)-2-chloranyl-benzoate hydrate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 4-(butylamino)-2-chloranyl-benzoate hydrate hydrochloride Openeye Name: 2-dimethylaminoethyl 4-(butylamino)-2-chloro-benzoate hydrate hydrochloride CAS Name: 4-(butylamino)-2-chlorobenzoic acid 2-dimethylaminoethyl ester hydrate hydrochloride IUPAC Name: 2-dimethylaminoethyl 4-(butylamino)-2-chlorobenzoate hydrate hydrochloride Traditional Name: 4-(butylamino)-2-chloro-benzoic acid 2-dimethylaminoethyl ester hydrate hydrochloride Formula: C15H26Cl2N2O3 MolecularWeight: 353.28454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)Cl.O.Cl

Isomeric SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)Cl.O.Cl

InChI

InChI=1S/C15H23ClN2O2.ClH.H2O/c1-4-5-8-17-12-6-7-13(14(16)11-12)15(19)20-10-9-18(2)3;;/h6-7,11,17H,4-5,8-10H2,1-3H3;1H;1H2