1-(2-azanyl-3-methyl-butyl)-1-(2-bromanyl-5,6,7,8-tetrahydroquinolin-8-yl)-4-piperidin-4-yl-benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-1-(2-bromanyl-5,6,7,8-tetrahydroquinolin-8-yl)-4-piperidin-4-yl-benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-1-(2-bromo-5,6,7,8-tetrahydroquinolin-8-yl)-4-(4-piperidyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-1-(2-bromo-5,6,7,8-tetrahydroquinolin-8-yl)-4-(4-piperidinyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-1-(2-bromo-5,6,7,8-tetrahydroquinolin-8-yl)-4-piperidin-4-ylbenzimidazol-1-ium-2-amine Traditional Name: [1-[[2-amino-1-(2-bromo-5,6,7,8-tetrahydroquinolin-8-yl)-4-(4-piperidyl)benzimidazol-1-ium-1-yl]methyl]-2-methyl-propyl]amine Formula: C26H36BrN6+ MolecularWeight: 512.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[N+]1(C2=CC=CC(=C2N=C1N)C3CCNCC3)C4CCCC5=C4N=C(C=C5)Br)N

Isomeric SMILES

CC(C)C(C[N+]1(C2=CC=CC(=C2N=C1N)C3CCNCC3)C4CCCC5=C4N=C(C=C5)Br)N

InChI

InChI=1S/C26H36BrN6/c1-16(2)20(28)15-33(21-7-3-5-18-9-10-23(27)31-24(18)21)22-8-4-6-19(25(22)32-26(33)29)17-11-13-30-14-12-17/h4,6,8-10,16-17,20-21,30H,3,5,7,11-15,28H2,1-2H3,(H2,29,32)/q+1