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

Systemtic Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Openeye Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]pyrimidine CAS Name: 2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]pyrimidine IUPAC Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]pyrimidine Traditional Name: 2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]pyrimidine Formula: C24H30N3O2S2+ MolecularWeight: 456.6439

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCC[NH+](C2)CC3=CSC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)[C@H]2CCC[NH+](C2)CC3=CSC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H29N3O2S2/c1-28-10-12-31-24-25-14-22(19-5-3-7-21(13-19)29-2)23(26-24)20-6-4-9-27(16-20)15-18-8-11-30-17-18/h3,5,7-8,11,13-14,17,20H,4,6,9-10,12,15-16H2,1-2H3/p+1/t20-/m0/s1