[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2/c1-23-15-17(14-22-23)16-24-12-8-20(9-13-24)27-19-6-4-18(5-7-19)21(26)25-10-2-3-11-25/h4-7,14-15,20H,2-3,8-13,16H2,1H3/p+1