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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2/c1-4-11(2)18-15(22)10-20-14-8-6-5-7-13(14)19-16(20)17-9-12(3)21/h5-8,11-12,21H,4,9-10H2,1-3H3,(H2,17,18,19,22)/p+1/t11-,12-/m0/s1