actinium; [6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]azanide

Systemtic Name: actinium; [6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]azanide Openeye Name: actinium; [6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-pyridyl]azanide CAS Name: actinium; [6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-pyridinyl]azanide IUPAC Name: actinium; [6-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]pyridin-3-yl]azanide Traditional Name: actinium; [6-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-pyridyl]azanide Formula: C21H27AcN6O- MolecularWeight: 606.506427

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=NC=C(C=C4)[NH-].[Ac]

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C4=NC=C(C=C4)[NH-].[Ac]

InChI

InChI=1S/C21H27N6O.Ac/c22-18-2-4-20(25-12-18)26-8-5-15(6-9-26)14-28-19-3-1-16-7-10-27(21(23)24)13-17(16)11-19;/h1-4,11-12,15,22H,5-10,13-14H2,(H3,23,24);/q-1;