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

Systemtic Name: 1-(2-azanyl-3-methyl-butyl)-4-methyl-5-piperidin-4-yl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-amino-3-methyl-butyl)-4-methyl-5-(4-piperidyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-amino-3-methylbutyl)-4-methyl-5-(4-piperidinyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-amino-3-methylbutyl)-4-methyl-5-piperidin-4-yl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine Traditional Name: [1-(2-amino-3-methyl-butyl)-4-methyl-5-(4-piperidyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-yl]amine Formula: C26H38N7+ MolecularWeight: 448.62682

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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)N)C5CCNCC5

Isomeric SMILES

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

InChI

InChI=1S/C26H38N7/c1-16(2)20(27)15-33(22-6-4-5-21-25(22)31-14-13-30-21)23-8-7-19(18-9-11-29-12-10-18)17(3)24(23)32-26(33)28/h7-8,13-14,16,18,20,22,29H,4-6,9-12,15,27H2,1-3H3,(H2,28,32)/q+1