2-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H29N2S2+ MolecularWeight: 349.57696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H28N2S2/c1-2-5-17-12-21(9-7-16(17)4-1)18-6-3-8-20(13-18)19-14-22-10-11-23-15-19/h1-2,4-5,18-19H,3,6-15H2/p+1/t18-/m0/s1