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

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-4-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-4-(4-piperidyl)-1-(2-quinolylmethyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-4-(4-piperidinyl)-1-(2-quinolinylmethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-4-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-1-ium-2-amine Traditional Name: [1-(2-amino-3-methyl-butyl)-4-(4-piperidyl)-1-(2-quinolylmethyl)benzimidazol-1-ium-2-yl]amine Formula: C27H35N6+ MolecularWeight: 443.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[N+]1(C2=CC=CC(=C2N=C1N)C3CCNCC3)CC4=NC5=CC=CC=C5C=C4)N

Isomeric SMILES

CC(C)C(C[N+]1(C2=CC=CC(=C2N=C1N)C3CCNCC3)CC4=NC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C27H35N6/c1-18(2)23(28)17-33(16-21-11-10-20-6-3-4-8-24(20)31-21)25-9-5-7-22(26(25)32-27(33)29)19-12-14-30-15-13-19/h3-11,18-19,23,30H,12-17,28H2,1-2H3,(H2,29,32)/q+1