1-[2-[5-[(3-methyloxetan-3-yl)methoxy]-1-oxidanidyl-benzimidazol-1-ium-1-yl]quinolin-8-yl]piperidin-4-amine

Systemtic Name: 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]-1-oxidanidyl-benzimidazol-1-ium-1-yl]quinolin-8-yl]piperidin-4-amine Openeye Name: 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]-1-oxido-benzimidazol-1-ium-1-yl]-8-quinolyl]piperidin-4-amine CAS Name: 1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1-oxido-1-benzimidazol-1-iumyl]-8-quinolinyl]-4-piperidinamine IUPAC Name: 1-[2-[5-[(3-methyloxetan-3-yl)methoxy]-1-oxidobenzimidazol-1-ium-1-yl]quinolin-8-yl]piperidin-4-amine Traditional Name: [1-[2-[5-[(3-methyloxetan-3-yl)methoxy]-1-oxido-benzimidazol-1-ium-1-yl]-8-quinolyl]-4-piperidyl]amine Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)COC2=CC3=C(C=C2)[N+](C=N3)(C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4)[O-]

Isomeric SMILES

CC1(COC1)COC2=CC3=C(C=C2)[N+](C=N3)(C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4)[O-]

InChI

InChI=1S/C26H29N5O3/c1-26(14-33-15-26)16-34-20-6-7-23-21(13-20)28-17-31(23,32)24-8-5-18-3-2-4-22(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3