1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCC(CC2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC(CC2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H32N4O/c1-2-26-16-12-24-22(26)18-25-13-9-19(10-14-25)7-8-23(28)27-15-11-20-5-3-4-6-21(20)17-27/h3-6,12,16,19H,2,7-11,13-15,17-18H2,1H3/p+1