1-[1-azanyl-1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-azanyl-1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-amino-1-[2-[ethyl-(1-methylsulfonyl-3-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-amino-1-[2-[ethyl-(1-methylsulfonyl-3-piperidinyl)amino]-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-amino-1-[2-[ethyl-(1-methylsulfonylpiperidin-3-yl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-amino-1-[2-[ethyl-(1-mesyl-3-piperidyl)amino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-2,2-dimethyl-propan-1-one Formula: C24H34N7O3S+ MolecularWeight: 500.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)S(=O)(=O)C)C2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C(C)(C)C)N

Isomeric SMILES

CCN(C1CCCN(C1)S(=O)(=O)C)C2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C(C)(C)C)N

InChI

InChI=1S/C24H34N7O3S/c1-6-30(18-8-7-13-29(15-18)35(5,33)34)23-26-12-11-21(28-23)31(25)16-27-19-14-17(9-10-20(19)31)22(32)24(2,3)4/h9-12,14,16,18H,6-8,13,15,25H2,1-5H3/q+1