actinium; 7-[(4-methyl-1-pyridin-4-yl-piperidin-4-yl)methylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide

Systemtic Name: actinium; 7-[(4-methyl-1-pyridin-4-yl-piperidin-4-yl)methylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide Openeye Name: actinium; 7-[[4-methyl-1-(4-pyridyl)-4-piperidyl]methylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide CAS Name: actinium; 7-[(4-methyl-1-pyridin-4-yl-4-piperidinyl)methylthio]-3,4-dihydro-1H-isoquinolin-2-ide IUPAC Name: actinium; 7-[(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide Traditional Name: actinium; 7-[[4-methyl-1-(4-pyridyl)-4-piperidyl]methylthio]-3,4-dihydro-1H-isoquinolin-2-ide Formula: C21H26AcN3S- MolecularWeight: 579.543987

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=NC=C2)CSC3=CC4=C(CC[N-]C4)C=C3.[Ac]

Isomeric SMILES

CC1(CCN(CC1)C2=CC=NC=C2)CSC3=CC4=C(CC[N-]C4)C=C3.[Ac]

InChI

InChI=1S/C21H26N3S.Ac/c1-21(7-12-24(13-8-21)19-5-10-22-11-6-19)16-25-20-3-2-17-4-9-23-15-18(17)14-20;/h2-3,5-6,10-11,14H,4,7-9,12-13,15-16H2,1H3;/q-1;