3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidyl]propan-1-one CAS Name: 3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-[(5-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidyl]propan-1-one Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CN2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C[NH+]=C(N1)CN2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H36N4O/c1-20-18-26-24(27-20)19-28-13-9-21(10-14-28)7-8-25(30)29-15-11-23(12-16-29)17-22-5-3-2-4-6-22/h2-6,18,21,23H,7-17,19H2,1H3,(H,26,27)/p+1