[4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(1-neopentylpiperidin-1-ium-4-yl)oxyphenyl]-pyrrolidino-methanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H32N2O2/c1-21(2,3)16-22-14-10-19(11-15-22)25-18-8-6-17(7-9-18)20(24)23-12-4-5-13-23/h6-9,19H,4-5,10-16H2,1-3H3/p+1