3-(6-chloranyl-3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(6-chloranyl-3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(6-chloro-3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(6-chloro-3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-(6-chloro-3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(6-chloro-3,3-dimethyl-1-phenyl-isobenzothiophen-1-yl)propyl-dimethyl-amine; oxalic acid Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)Cl)C(S1)(CCCN(C)C)C3=CC=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(C2=C(C=C(C=C2)Cl)C(S1)(CCCN(C)C)C3=CC=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26ClNS.C2H2O4/c1-20(2)18-12-11-17(22)15-19(18)21(24-20,13-8-14-23(3)4)16-9-6-5-7-10-16;3-1(4)2(5)6/h5-7,9-12,15H,8,13-14H2,1-4H3;(H,3,4)(H,5,6)