4-[[(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine

Systemtic Name: 4-[[(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine Openeye Name: 4-[[(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine CAS Name: 4-[[(3S,4R)-3-(1-methyl-2-pyrrolyl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine IUPAC Name: 4-[[(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine Traditional Name: 4-[[(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-3,4-dihydro-1H-isoquinolin-4-yl]methyl]thiomorpholine Formula: C27H33N3S MolecularWeight: 431.63602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCSCC5

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCSCC5

InChI

InChI=1S/C27H33N3S/c1-28-14-7-12-26(28)27-25(21-29-16-18-31-19-17-29)24-11-6-5-10-23(24)20-30(27)15-13-22-8-3-2-4-9-22/h2-12,14,25,27H,13,15-21H2,1H3/t25-,27-/m0/s1