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

Systemtic Name: 1-(2-azanylethyl)-4-piperidin-4-yl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine trihydrate Openeye Name: 1-(2-aminoethyl)-4-(4-piperidyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine trihydrate CAS Name: 1-(2-aminoethyl)-4-(4-piperidinyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)-2-benzimidazol-1-iumamine trihydrate IUPAC Name: 1-(2-aminoethyl)-4-piperidin-4-yl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-amine trihydrate Traditional Name: [1-(2-aminoethyl)-4-(4-piperidyl)-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-1-ium-2-yl]amine trihydrate Formula: C22H36N7O3+ MolecularWeight: 446.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=NC=CN=C2C1)[N+]3(C4=CC=CC(=C4N=C3N)C5CCNCC5)CCN.O.O.O

Isomeric SMILES

C1CC(C2=NC=CN=C2C1)[N+]3(C4=CC=CC(=C4N=C3N)C5CCNCC5)CCN.O.O.O

InChI

InChI=1S/C22H30N7.3H2O/c23-9-14-29(19-6-2-4-17-21(19)27-13-12-26-17)18-5-1-3-16(20(18)28-22(29)24)15-7-10-25-11-8-15;;;/h1,3,5,12-13,15,19,25H,2,4,6-11,14,23H2,(H2,24,28);3*1H2/q+1;;;