1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine; (E)-but-2-enedioic acid

Systemtic Name: 1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine; (E)-but-2-enedioic acid Openeye Name: 1-[1-(benzothiophen-2-yl)cycloheptyl]piperidine; fumaric acid CAS Name: 1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine; (E)-2-butenedioic acid IUPAC Name: 1-[1-(1-benzothiophen-2-yl)cycloheptyl]piperidine; (E)-but-2-enedioic acid Traditional Name: 1-[1-(benzothiophen-2-yl)cycloheptyl]piperidine; fumaric acid Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H27NS.C4H4O4/c1-2-7-13-20(12-6-1,21-14-8-3-9-15-21)19-16-17-10-4-5-11-18(17)22-19;5-3(6)1-2-4(7)8/h4-5,10-11,16H,1-3,6-9,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+