[4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-phenothiazin-10-yl-methanone

Systemtic Name: [4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-phenothiazin-10-yl-methanone Openeye Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]-phenothiazin-10-yl-methanone CAS Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]-(10-phenothiazinyl)methanone IUPAC Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]-phenothiazin-10-ylmethanone Traditional Name: [4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]-phenothiazin-10-yl-methanone Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64)CN)O

InChI

InChI=1S/C29H31N3O3S/c1-18-10-11-20-21(28(18)33)16-24(35-25(20)17-30)19-12-14-31(15-13-19)29(34)32-22-6-2-4-8-26(22)36-27-9-5-3-7-23(27)32/h2-11,19,24-25,33H,12-17,30H2,1H3/t24-,25-/m0/s1