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

Systemtic Name: [4-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-16(15-24-2)21-13-9-19(10-14-21)25-18-7-5-17(6-8-18)20(23)22-11-3-4-12-22/h5-8,16,19H,3-4,9-15H2,1-2H3/p+1/t16-/m0/s1