(2R)-2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H27N3OS/c1-16(20(24)23-8-4-5-9-23)22-12-10-21(11-13-22)14-17-15-25-19-7-3-2-6-18(17)19/h2-3,6-7,15-16H,4-5,8-14H2,1H3/p+1/t16-/m1/s1