2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=C3C(=CC=C2)OCO3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=C3C(=CC=C2)OCO3)CCO)CC4=CC=CS4

InChI

InChI=1S/C19H24N2O3S/c22-9-6-16-12-20(7-8-21(16)13-17-4-2-10-25-17)11-15-3-1-5-18-19(15)24-14-23-18/h1-5,10,16,22H,6-9,11-14H2/p+1/t16-/m0/s1