1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-1-one Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H26N2O/c1-15-5-4-10-19(13-15)11-9-18(21)20-12-8-16-6-2-3-7-17(16)14-20/h2-3,6-7,15H,4-5,8-14H2,1H3/p+1/t15-/m0/s1