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

Systemtic Name: 1-(2-azanylethyl)-1-(3-chloranyl-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-piperidin-4-yl-benzimidazol-1-ium-2-amine Openeye Name: 1-(2-aminoethyl)-1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-aminoethyl)-1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidinyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-aminoethyl)-1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-piperidin-4-ylbenzimidazol-1-ium-2-amine Traditional Name: 2-[2-amino-1-(3-chloro-5,6,7,8-tetrahydroquinoxalin-5-yl)-4-methyl-5-(4-piperidyl)benzimidazol-1-ium-1-yl]ethylamine Formula: C23H31ClN7+ MolecularWeight: 440.99214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN7/c1-14-16(15-7-10-27-11-8-15)5-6-19-21(14)30-23(26)31(19,12-9-25)18-4-2-3-17-22(18)29-20(24)13-28-17/h5-6,13,15,18,27H,2-4,7-12,25H2,1H3,(H2,26,30)/q+1