1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S,4R)-1-(phenylmethyl)-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]propan-1-one Openeye Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-yl-piperidin-1-ium-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3S,4R)-1-(phenylmethyl)-4-(1-pyrrolidinyl)-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-1-ium-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[(3S,4R)-1-benzyl-4-pyrrolidino-piperidin-1-ium-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CC[NH+](CC2CCC(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)[C@@H]2CC[NH+](C[C@@H]2CCC(=O)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5

InChI

InChI=1S/C28H37N3O/c32-28(31-19-14-24-10-4-5-11-25(24)22-31)13-12-26-21-29(20-23-8-2-1-3-9-23)18-15-27(26)30-16-6-7-17-30/h1-5,8-11,26-27H,6-7,12-22H2/p+1/t26-,27+/m0/s1