2-[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[3-(ethoxymethyl)-4-methoxy-benzyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C25H34N2O2/c1-3-29-19-23-15-20(10-11-25(23)28-2)16-26-13-6-9-24(18-26)27-14-12-21-7-4-5-8-22(21)17-27/h4-5,7-8,10-11,15,24H,3,6,9,12-14,16-19H2,1-2H3/p+1/t24-/m0/s1