[1-azanyl-1-[2-[1-(1-methylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone

Systemtic Name: [1-azanyl-1-[2-[1-(1-methylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone Openeye Name: [1-amino-1-[2-[1-(1-methylsulfonyl-3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone CAS Name: [1-amino-1-[2-[1-(1-methylsulfonyl-3-piperidinyl)ethylamino]-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-phenylmethanone IUPAC Name: [1-amino-1-[2-[1-(1-methylsulfonylpiperidin-3-yl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenylmethanone Traditional Name: [1-amino-1-[2-[1-(1-mesyl-3-piperidyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone Formula: C26H30N7O3S+ MolecularWeight: 520.6265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)S(=O)(=O)C)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC(C1CCCN(C1)S(=O)(=O)C)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H30N7O3S/c1-18(21-9-6-14-32(16-21)37(2,35)36)30-26-28-13-12-24(31-26)33(27)17-29-22-15-20(10-11-23(22)33)25(34)19-7-4-3-5-8-19/h3-5,7-8,10-13,15,17-18,21H,6,9,14,16,27H2,1-2H3,(H,28,30,31)/q+1