1-(2-azanyl-3-methyl-butyl)-4-methyl-5-piperidin-4-yl-1-(quinolin-8-ylmethyl)benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-4-methyl-5-piperidin-4-yl-1-(quinolin-8-ylmethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-4-methyl-5-(4-piperidyl)-1-(8-quinolylmethyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-4-methyl-5-(4-piperidinyl)-1-(8-quinolinylmethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-4-methyl-5-piperidin-4-yl-1-(quinolin-8-ylmethyl)benzimidazol-1-ium-2-amine Traditional Name: [1-(2-amino-3-methyl-butyl)-4-methyl-5-(4-piperidyl)-1-(8-quinolylmethyl)benzimidazol-1-ium-2-yl]amine Formula: C28H37N6+ MolecularWeight: 457.63358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C([N+]2(CC3=CC=CC4=C3N=CC=C4)CC(C(C)C)N)N)C5CCNCC5

Isomeric SMILES

CC1=C(C=CC2=C1N=C([N+]2(CC3=CC=CC4=C3N=CC=C4)CC(C(C)C)N)N)C5CCNCC5

InChI

InChI=1S/C28H37N6/c1-18(2)24(29)17-34(16-22-7-4-6-21-8-5-13-32-27(21)22)25-10-9-23(20-11-14-31-15-12-20)19(3)26(25)33-28(34)30/h4-10,13,18,20,24,31H,11-12,14-17,29H2,1-3H3,(H2,30,33)/q+1