1-(2-azanyl-3-methyl-butyl)-1-[ethoxy(quinolin-8-yl)methyl]-4-piperidin-4-yl-benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-1-[ethoxy(quinolin-8-yl)methyl]-4-piperidin-4-yl-benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-1-[ethoxy(8-quinolyl)methyl]-4-(4-piperidyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-1-[ethoxy(8-quinolinyl)methyl]-4-(4-piperidinyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-1-[ethoxy(quinolin-8-yl)methyl]-4-piperidin-4-ylbenzimidazol-1-ium-2-amine Traditional Name: [1-[[2-amino-1-[ethoxy(8-quinolyl)methyl]-4-(4-piperidyl)benzimidazol-1-ium-1-yl]methyl]-2-methyl-propyl]amine Formula: C29H39N6O+ MolecularWeight: 487.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC2=C1N=CC=C2)[N+]3(C4=CC=CC(=C4N=C3N)C5CCNCC5)CC(C(C)C)N

Isomeric SMILES

CCOC(C1=CC=CC2=C1N=CC=C2)[N+]3(C4=CC=CC(=C4N=C3N)C5CCNCC5)CC(C(C)C)N

InChI

InChI=1S/C29H39N6O/c1-4-36-28(23-11-5-8-21-9-7-15-33-26(21)23)35(18-24(30)19(2)3)25-12-6-10-22(27(25)34-29(35)31)20-13-16-32-17-14-20/h5-12,15,19-20,24,28,32H,4,13-14,16-18,30H2,1-3H3,(H2,31,34)/q+1