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

Systemtic Name: 5-(2-methylphenyl)-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-2-pyridin-4-yl-pyrimidine Openeye Name: 4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine CAS Name: 5-(2-methylphenyl)-4-[(3S)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]-2-pyridin-4-ylpyrimidine IUPAC Name: 5-(2-methylphenyl)-4-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-2-pyridin-4-ylpyrimidine Traditional Name: 4-[(3S)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]-5-(o-tolyl)-2-(4-pyridyl)pyrimidine Formula: C27H29N4S+ MolecularWeight: 441.61096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCCC(C2)C3=NC(=NC=C3C4=CC=CC=C4C)C5=CC=NC=C5

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC[C@@H](C2)C3=NC(=NC=C3C4=CC=CC=C4C)C5=CC=NC=C5

InChI

InChI=1S/C27H28N4S/c1-19-6-3-4-8-23(19)24-16-29-27(21-9-12-28-13-10-21)30-26(24)22-7-5-14-31(17-22)18-25-20(2)11-15-32-25/h3-4,6,8-13,15-16,22H,5,7,14,17-18H2,1-2H3/p+1/t22-/m0/s1