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

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-1-(2-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-piperidin-4-yl-benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-1-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-1-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidinyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-1-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-piperidin-4-ylbenzimidazol-1-ium-2-amine Traditional Name: [1-[[2-amino-1-(2-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidyl)benzimidazol-1-ium-1-yl]methyl]-2-methyl-propyl]amine Formula: C26H37ClN7+ MolecularWeight: 483.07188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C([N+]2(CC(C(C)C)N)C3CCCC4=NC(=CN=C34)Cl)N)C5CCNCC5

Isomeric SMILES

CC1=C(C=CC2=C1N=C([N+]2(CC(C(C)C)N)C3CCCC4=NC(=CN=C34)Cl)N)C5CCNCC5

InChI

InChI=1S/C26H37ClN7/c1-15(2)19(28)14-34(21-6-4-5-20-25(21)31-13-23(27)32-20)22-8-7-18(17-9-11-30-12-10-17)16(3)24(22)33-26(34)29/h7-8,13,15,17,19,21,30H,4-6,9-12,14,28H2,1-3H3,(H2,29,33)/q+1