[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]azanium Openeye Name: [(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(2R)-3-methyl-2-(1-pyrrolidinyl)butyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]azanium Traditional Name: [(2R)-3-methyl-2-pyrrolidino-butyl]-[(4S)-thiochroman-4-yl]ammonium Formula: C18H29N2S+ MolecularWeight: 305.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]C1CCSC2=CC=CC=C12)N3CCCC3

Isomeric SMILES

CC(C)[C@H](C[NH2+][C@H]1CCSC2=CC=CC=C12)N3CCCC3

InChI

InChI=1S/C18H28N2S/c1-14(2)17(20-10-5-6-11-20)13-19-16-9-12-21-18-8-4-3-7-15(16)18/h3-4,7-8,14,16-17,19H,5-6,9-13H2,1-2H3/p+1/t16-,17-/m0/s1