2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C20H27ClN3OS+ MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H26ClN3OS/c21-20-16-6-2-3-7-17(16)26-18(20)14-22-10-12-23(13-11-22)15-19(25)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2/p+1