[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4/c1-25(15-13-18-8-3-2-4-9-18)19-10-7-14-26(16-19)17-22-23-20-11-5-6-12-21(20)24-22/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,23,24)/p+1/t19-/m0/s1