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

Systemtic Name: [4-methoxy-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[(1-methyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC(CC2)OC3=C(C=CC(=C3)OC)C(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O3/c1-24-14-9-23-21(24)16-25-12-7-17(8-13-25)29-20-15-18(28-2)5-6-19(20)22(27)26-10-3-4-11-26/h5-6,9,14-15,17H,3-4,7-8,10-13,16H2,1-2H3/p+1