5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]pyrimidine

Systemtic Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(o-tolyl)-2-(4-pyridyl)-4-[(3S)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(o-tolyl)-2-(4-pyridyl)-4-[(3S)-1-(2-thenyl)piperidin-1-ium-3-yl]pyrimidine Formula: C26H27N4S+ MolecularWeight: 427.58438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCC[NH+](C3)CC4=CC=CS4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=CC=CS4)C5=CC=NC=C5

InChI

InChI=1S/C26H26N4S/c1-19-6-2-3-9-23(19)24-16-28-26(20-10-12-27-13-11-20)29-25(24)21-7-4-14-30(17-21)18-22-8-5-15-31-22/h2-3,5-6,8-13,15-16,21H,4,7,14,17-18H2,1H3/p+1/t21-/m0/s1