2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]-1H-benzimidazole Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H31N5O/c1-30-23-11-5-4-10-22(23)29-15-13-28(14-16-29)19-7-6-12-27(17-19)18-24-25-20-8-2-3-9-21(20)26-24/h2-5,8-11,19H,6-7,12-18H2,1H3,(H,25,26)/p+1/t19-/m0/s1