5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]pyrimidine

Systemtic Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(4-fluorophenyl)-2-methyl-4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]pyrimidine Formula: C22H25FN3S+ MolecularWeight: 382.517403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H24FN3S/c1-15-9-11-27-21(15)14-26-10-3-4-18(13-26)22-20(12-24-16(2)25-22)17-5-7-19(23)8-6-17/h5-9,11-12,18H,3-4,10,13-14H2,1-2H3/p+1/t18-/m0/s1