(3S)-N-(1H-benzimidazol-2-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1H-benzimidazol-2-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1H-benzimidazol-2-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1H-benzimidazol-2-ylmethyl)-1-(3-phenylpropyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1H-benzimidazol-2-ylmethyl)-1-(3-phenylpropyl)piperidin-1-ium-3-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amine Formula: C22H29N4+ MolecularWeight: 349.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4/c1-2-8-18(9-3-1)10-6-14-26-15-7-11-19(17-26)23-16-22-24-20-12-4-5-13-21(20)25-22/h1-5,8-9,12-13,19,23H,6-7,10-11,14-17H2,(H,24,25)/p+1/t19-/m0/s1