1-benzothiophen-2-yl-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: 1-benzothiophen-2-yl-[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3OS/c28-24(23-17-19-7-4-5-11-22(19)29-23)27-12-6-10-21(18-27)26-15-13-25(14-16-26)20-8-2-1-3-9-20/h1-5,7-9,11,17,21H,6,10,12-16,18H2/p+1/t21-/m0/s1