1-(1,3-benzodioxol-5-yl)-4-piperazin-1-yl-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-piperazin-1-yl-4-(thiophen-2-ylmethyl)cyclohexan-1-ol Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-piperazin-1-yl-4-(2-thienylmethyl)cyclohexanol CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(1-piperazinyl)-4-(thiophen-2-ylmethyl)-1-cyclohexanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-piperazin-1-yl-4-(thiophen-2-ylmethyl)cyclohexan-1-ol Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-piperazino-4-(2-thenyl)cyclohexanol Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1(CC2=CC=CS2)N3CCNCC3)(C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CC(CCC1(CC2=CC=CS2)N3CCNCC3)(C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H28N2O3S/c25-22(17-3-4-19-20(14-17)27-16-26-19)7-5-21(6-8-22,15-18-2-1-13-28-18)24-11-9-23-10-12-24/h1-4,13-14,23,25H,5-12,15-16H2