3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(1-benzothiophen-2-ylmethyl)-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(benzothiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C23H34N3OS+ MolecularWeight: 400.60056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H33N3OS/c1-2-24-13-15-26(16-14-24)23(27)8-7-19-9-11-25(12-10-19)18-21-17-20-5-3-4-6-22(20)28-21/h3-6,17,19H,2,7-16,18H2,1H3/p+1