1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-oxidanylpropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[[(2S)-2-hydroxypropyl]amino]-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[N+](C2=CC=CC=C2N1)CC(=O)N3CCCC4=CC=CC=C43)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC(=O)N3CCCC4=CC=CC=C43)O

InChI

InChI=1S/C21H24N4O2/c1-15(26)13-22-21-23-17-9-3-5-11-19(17)25(21)14-20(27)24-12-6-8-16-7-2-4-10-18(16)24/h2-5,7,9-11,15,26H,6,8,12-14H2,1H3,(H,22,23)/p+1/t15-/m0/s1