N-[2-cyclobutyl-1-methyl-7-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide

Systemtic Name: N-[2-cyclobutyl-1-methyl-7-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzimidazol-5-yl]-2-methoxy-ethanamide Openeye Name: N-[2-cyclobutyl-1-methyl-7-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxy-acetamide CAS Name: N-[2-cyclobutyl-1-methyl-7-[[4-[(3-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-5-benzimidazolyl]-2-methoxyacetamide IUPAC Name: N-[2-cyclobutyl-1-methyl-7-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide Traditional Name: N-[2-cyclobutyl-1-methyl-7-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-carbonyl]benzimidazol-5-yl]-2-methoxy-acetamide Formula: C27H35N6O3+ MolecularWeight: 491.6052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC4=C3N(C(=N4)C5CCC5)C)NC(=O)COC

Isomeric SMILES

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC4=C3N(C(=N4)C5CCC5)C)NC(=O)COC

InChI

InChI=1S/C27H34N6O3/c1-18-6-5-9-28-23(18)16-32-10-12-33(13-11-32)27(35)21-14-20(29-24(34)17-36-3)15-22-25(21)31(2)26(30-22)19-7-4-8-19/h5-6,9,14-15,19H,4,7-8,10-13,16-17H2,1-3H3,(H,29,34)/p+1