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

Systemtic Name: [2-[1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-(1H-imidazol-2-ylmethyl)-4-piperidin-1-iumyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=NC=CN4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CC4=NC=CN4

InChI

InChI=1S/C21H28N4O3/c1-27-17-4-5-18(21(26)25-10-2-3-11-25)19(14-17)28-16-6-12-24(13-7-16)15-20-22-8-9-23-20/h4-5,8-9,14,16H,2-3,6-7,10-13,15H2,1H3,(H,22,23)/p+1