[1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(oxan-4-yl)azanium

Systemtic Name: [1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(oxan-4-yl)azanium Openeye Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium CAS Name: [1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]-(4-oxanyl)ammonium IUPAC Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-(oxan-4-yl)azanium Traditional Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-tetrahydropyran-4-yl-ammonium Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CN(CCC1[NH2+]C2CCOCC2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H33N3O2/c30-26(29-14-9-20-3-1-2-4-22(20)19-29)21-5-7-25(8-6-21)28-15-10-23(11-16-28)27-24-12-17-31-18-13-24/h1-8,23-24,27H,9-19H2/p+1