1-phenyl-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-phenyl-4-[(3S)-1-(3-thiophenylsulfonyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]piperazin-4-ium Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CSC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CSC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H25N3O2S2/c23-26(24,19-8-14-25-16-19)22-9-4-7-18(15-22)21-12-10-20(11-13-21)17-5-2-1-3-6-17/h1-3,5-6,8,14,16,18H,4,7,9-13,15H2/p+1/t18-/m0/s1