[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H32N2O2/c29-26(28-15-12-20-6-1-2-7-22(20)19-28)21-8-5-11-25(18-21)30-24-13-16-27(17-14-24)23-9-3-4-10-23/h1-2,5-8,11,18,23-24H,3-4,9-10,12-17,19H2/p+1