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

Systemtic Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-piperidin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Formula: C28H43N4O+ MolecularWeight: 451.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H42N4O/c1-2-3-9-27-29-21-26(30-27)22-31-16-12-23(13-17-31)10-11-28(33)32-18-14-25(15-19-32)20-24-7-5-4-6-8-24/h4-8,21,23,25H,2-3,9-20,22H2,1H3,(H,29,30)/p+1