3-[(3R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(3-chlorobenzothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C22H31ClN3OS+ MolecularWeight: 421.01904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H30ClN3OS/c1-24-11-13-26(14-12-24)21(27)9-8-17-5-4-10-25(15-17)16-20-22(23)18-6-2-3-7-19(18)28-20/h2-3,6-7,17H,4-5,8-16H2,1H3/p+1/t17-/m1/s1