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

Systemtic Name: 2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide CAS Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-pentan-3-ylacetamide IUPAC Name: 2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)NC(=O)C[N+]1=C(NC2=CC=CC=C21)NC[C@H](C)O

InChI

InChI=1S/C17H26N4O2/c1-4-13(5-2)19-16(23)11-21-15-9-7-6-8-14(15)20-17(21)18-10-12(3)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H2,18,19,20,23)/p+1/t12-/m0/s1