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

Systemtic Name: [1-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]piperidin-4-yl]-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [1-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-4-piperidinyl]-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-piperidyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]C2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H36N4O/c1-29-15-11-24(12-16-29)28-25-13-18-30(19-14-25)26-8-6-22(7-9-26)27(32)31-17-10-21-4-2-3-5-23(21)20-31/h2-9,24-25,28H,10-20H2,1H3/p+2