3-[(3R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C21H28ClN2OS+ MolecularWeight: 391.97782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H27ClN2OS/c22-21-17-7-1-2-8-18(17)26-19(21)15-23-11-5-6-16(14-23)9-10-20(25)24-12-3-4-13-24/h1-2,7-8,16H,3-6,9-15H2/p+1/t16-/m1/s1