(1R,3S)-1-(aminomethyl)-3-(1-butylpiperidin-4-yl)-6-methyl-3,4-dihydro-1H-isochromen-5-ol

Systemtic Name: (1R,3S)-1-(aminomethyl)-3-(1-butylpiperidin-4-yl)-6-methyl-3,4-dihydro-1H-isochromen-5-ol Openeye Name: (1R,3S)-1-(aminomethyl)-3-(1-butyl-4-piperidyl)-6-methyl-isochroman-5-ol CAS Name: (1R,3S)-1-(aminomethyl)-3-(1-butyl-4-piperidinyl)-6-methyl-3,4-dihydro-1H-2-benzopyran-5-ol IUPAC Name: (1R,3S)-1-(aminomethyl)-3-(1-butylpiperidin-4-yl)-6-methyl-3,4-dihydro-1H-isochromen-5-ol Traditional Name: (1R,3S)-1-(aminomethyl)-3-(1-butyl-4-piperidyl)-6-methyl-isochroman-5-ol Formula: C20H32N2O2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2CC3=C(C=CC(=C3O)C)C(O2)CN

Isomeric SMILES

CCCCN1CCC(CC1)[C@@H]2CC3=C(C=CC(=C3O)C)[C@@H](O2)CN

InChI

InChI=1S/C20H32N2O2/c1-3-4-9-22-10-7-15(8-11-22)18-12-17-16(19(13-21)24-18)6-5-14(2)20(17)23/h5-6,15,18-19,23H,3-4,7-13,21H2,1-2H3/t18-,19-/m0/s1