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

Systemtic Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 5-(o-tolyl)-2-(4-pyridyl)-4-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 5-(2-methylphenyl)-2-pyridin-4-yl-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 5-(o-tolyl)-2-(4-pyridyl)-4-[(3S)-1-(3-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=CSC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2[C@H]3CCC[NH+](C3)CC4=CSC=C4)C5=CC=NC=C5

InChI

InChI=1S/C26H26N4S/c1-19-5-2-3-7-23(19)24-15-28-26(21-8-11-27-12-9-21)29-25(24)22-6-4-13-30(17-22)16-20-10-14-31-18-20/h2-3,5,7-12,14-15,18,22H,4,6,13,16-17H2,1H3/p+1/t22-/m0/s1