N,N-bis(2-methylpropyl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanamide

Systemtic Name: N,N-bis(2-methylpropyl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N,N-diisobutyl-acetamide CAS Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N,N-bis(2-methylpropyl)acetamide IUPAC Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N,N-bis(2-methylpropyl)acetamide Traditional Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N,N-diisobutyl-acetamide Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C[N+]1=C(NC2=CC=CC=C21)NCC(C)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC(=O)N(CC(C)C)CC(C)C)O

InChI

InChI=1S/C20H32N4O2/c1-14(2)11-23(12-15(3)4)19(26)13-24-18-9-7-6-8-17(18)22-20(24)21-10-16(5)25/h6-9,14-16,25H,10-13H2,1-5H3,(H,21,22)/p+1/t16-/m0/s1