[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H32N4O2/c1-18(2)27-17-19(15-24-27)16-25-13-9-22(10-14-25)29-21-7-5-20(6-8-21)23(28)26-11-3-4-12-26/h5-8,15,17-18,22H,3-4,9-14,16H2,1-2H3/p+1