benzoic acid; 4-(7-chloranyl-5-methyl-1-benzothiophen-3-yl)-1-methyl-piperidine

Systemtic Name: benzoic acid; 4-(7-chloranyl-5-methyl-1-benzothiophen-3-yl)-1-methyl-piperidine Openeye Name: benzoic acid; 4-(7-chloro-5-methyl-benzothiophen-3-yl)-1-methyl-piperidine CAS Name: benzoic acid; 4-(7-chloro-5-methyl-1-benzothiophen-3-yl)-1-methylpiperidine IUPAC Name: benzoic acid; 4-(7-chloro-5-methyl-1-benzothiophen-3-yl)-1-methylpiperidine Traditional Name: benzoic acid; 4-(7-chloro-5-methyl-benzothiophen-3-yl)-1-methyl-piperidine Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CS2)C3CCN(CC3)C)Cl.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CS2)C3CCN(CC3)C)Cl.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H18ClNS.C7H6O2/c1-10-7-12-13(9-18-15(12)14(16)8-10)11-3-5-17(2)6-4-11;8-7(9)6-4-2-1-3-5-6/h7-9,11H,3-6H2,1-2H3;1-5H,(H,8,9)