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

Systemtic Name: actinium; 7-[2-(4-methyl-1-pyridin-4-yl-piperidin-4-yl)ethylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide Openeye Name: actinium; 7-[2-[4-methyl-1-(4-pyridyl)-4-piperidyl]ethylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide CAS Name: actinium; 7-[2-(4-methyl-1-pyridin-4-yl-4-piperidinyl)ethylthio]-3,4-dihydro-1H-isoquinolin-2-ide IUPAC Name: actinium; 7-[2-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)ethylsulfanyl]-3,4-dihydro-1H-isoquinolin-2-ide Traditional Name: actinium; 7-[2-[4-methyl-1-(4-pyridyl)-4-piperidyl]ethylthio]-3,4-dihydro-1H-isoquinolin-2-ide Formula: C22H28AcN3S- MolecularWeight: 593.570567

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=NC=C2)CCSC3=CC4=C(CC[N-]C4)C=C3.[Ac]

Isomeric SMILES

CC1(CCN(CC1)C2=CC=NC=C2)CCSC3=CC4=C(CC[N-]C4)C=C3.[Ac]

InChI

InChI=1S/C22H28N3S.Ac/c1-22(7-13-25(14-8-22)20-5-11-23-12-6-20)9-15-26-21-3-2-18-4-10-24-17-19(18)16-21;/h2-3,5-6,11-12,16H,4,7-10,13-15,17H2,1H3;/q-1;