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

Systemtic Name: N-butyl-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide IUPAC Name: N-butyl-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]acetamide Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2/c1-3-4-9-17-15(22)11-20-14-8-6-5-7-13(14)19-16(20)18-10-12(2)21/h5-8,12,21H,3-4,9-11H2,1-2H3,(H2,17,18,19,22)/p+1/t12-/m0/s1