[4-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-(5-isoquinolinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(5-isoquinolylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H29N3O2/c30-26(29-14-1-2-15-29)20-6-8-23(9-7-20)31-24-11-16-28(17-12-24)19-22-5-3-4-21-18-27-13-10-25(21)22/h3-10,13,18,24H,1-2,11-12,14-17,19H2/p+1