N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N,2-dimethyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazole-4-carboxamide

Systemtic Name: N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N,2-dimethyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 3-benzyl-N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N,2-dimethyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide CAS Name: N-[[(3R)-1-ethyl-3-pyrrolidin-1-iumyl]methyl]-N,2-dimethyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 3-benzyl-N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-N,2-dimethyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide Traditional Name: 3-benzyl-N-[[(3R)-1-ethylpyrrolidin-1-ium-3-yl]methyl]-6-(isobutyrylamino)-N,2-dimethyl-benzimidazole-4-carboxamide Formula: C28H38N5O2+ MolecularWeight: 476.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)CN(C)C(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)CN(C)C(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

InChI

InChI=1S/C28H37N5O2/c1-6-32-13-12-22(17-32)16-31(5)28(35)24-14-23(30-27(34)19(2)3)15-25-26(24)33(20(4)29-25)18-21-10-8-7-9-11-21/h7-11,14-15,19,22H,6,12-13,16-18H2,1-5H3,(H,30,34)/p+1/t22-/m1/s1