[2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-[(2S)-2-phenylpropyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)OC2=CC=CC=C2C(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c1-20(21-9-3-2-4-10-21)19-26-17-13-22(14-18-26)29-24-12-6-5-11-23(24)25(28)27-15-7-8-16-27/h2-6,9-12,20,22H,7-8,13-19H2,1H3/p+1/t20-/m1/s1