(3-phenylisoquinolin-1-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone

Systemtic Name: (3-phenylisoquinolin-1-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Openeye Name: (3-phenyl-1-isoquinolyl)-[1-(1-piperidyl)piperidin-1-ium-1-yl]methanone CAS Name: (3-phenyl-1-isoquinolinyl)-[1-(1-piperidinyl)-1-piperidin-1-iumyl]methanone IUPAC Name: (3-phenylisoquinolin-1-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone Traditional Name: (3-phenyl-1-isoquinolyl)-(1-piperidinopiperidin-1-ium-1-yl)methanone Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C3=NC(=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)[N+]2(CCCCC2)C(=O)C3=NC(=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H30N3O/c30-26(29(18-10-3-11-19-29)28-16-8-2-9-17-28)25-23-15-7-6-14-22(23)20-24(27-25)21-12-4-1-5-13-21/h1,4-7,12-15,20H,2-3,8-11,16-19H2/q+1