[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(3-methyl-2-thienyl)methanone Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29N3O2S/c1-17-9-15-28-21(17)22(26)25-10-3-4-19(16-25)24-13-11-23(12-14-24)18-5-7-20(27-2)8-6-18/h5-9,15,19H,3-4,10-14,16H2,1-2H3/p+1/t19-/m0/s1