[4-methoxy-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H29N3O3/c1-28-20-4-5-21(23(27)26-12-2-3-13-26)22(16-20)29-19-8-14-25(15-9-19)17-18-6-10-24-11-7-18/h4-7,10-11,16,19H,2-3,8-9,12-15,17H2,1H3/p+1