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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)-3-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 3-benzyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-methyl-6-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 3-benzyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide Traditional Name: 3-benzyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-6-(isobutyrylamino)-2-methyl-benzimidazole-4-carboxamide Formula: C27H36N5O2+ MolecularWeight: 462.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=CC3=C2N(C(=N3)C)CC4=CC=CC=C4)NC(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O2/c1-5-31-13-9-12-22(31)16-28-27(34)23-14-21(30-26(33)18(2)3)15-24-25(23)32(19(4)29-24)17-20-10-7-6-8-11-20/h6-8,10-11,14-15,18,22H,5,9,12-13,16-17H2,1-4H3,(H,28,34)(H,30,33)/p+1/t22-/m0/s1