(6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione

Systemtic Name: (6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione Openeye Name: (6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione CAS Name: (6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione IUPAC Name: (6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione Traditional Name: (6S)-4-(1-adamantyl)-6-(2,4-dichlorophenyl)-5,6-dihydro-1H-pyrimidin-3-ium-2-thione Formula: C20H23Cl2N2S+ MolecularWeight: 394.38102

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=[NH+]C(=S)NC(C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1[C@H](NC(=S)[NH+]=C1C23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2S/c21-14-1-2-15(16(22)6-14)17-7-18(24-19(25)23-17)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6,11-13,17H,3-5,7-10H2,(H,23,25)/p+1/t11?,12?,13?,17-,20?/m0/s1