4-azaniumylbutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]azanium

Systemtic Name: 4-azaniumylbutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]azanium Openeye Name: 4-azaniumylbutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]ammonium CAS Name: 4-ammoniobutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]ammonium IUPAC Name: 4-azaniumylbutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]azanium Traditional Name: 4-ammoniobutyl-(1H-benzimidazol-2-ylmethyl)-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]ammonium Formula: C21H29N5+2 MolecularWeight: 351.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC=N2)[NH+](CCCC[NH3+])CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C2=C(C1)C=CC=N2)[NH+](CCCC[NH3+])CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/p+2/t19-/m0/s1