[4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]-pyrrolidino-methanone Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)N4CCCC4)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)N4CCCC4)CN)O

InChI

InChI=1S/C21H31N3O3/c1-14-4-5-16-17(20(14)25)12-18(27-19(16)13-22)15-6-10-24(11-7-15)21(26)23-8-2-3-9-23/h4-5,15,18-19,25H,2-3,6-13,22H2,1H3/t18-,19-/m0/s1