[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-yl-methanone

Systemtic Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-yl-methanone Openeye Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(3-thienyl)methanone CAS Name: [(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(3-thiophenyl)methanone IUPAC Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-3-ylmethanone Traditional Name: [(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-(3-thienyl)methanone Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3OS/c21-17-3-1-4-18(13-17)22-8-10-23(11-9-22)19-5-2-7-24(14-19)20(25)16-6-12-26-15-16/h1,3-4,6,12-13,15,19H,2,5,7-11,14H2/p+1/t19-/m0/s1