[4-methoxy-2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-16(15-25-2)22-12-8-17(9-13-22)27-20-14-18(26-3)6-7-19(20)21(24)23-10-4-5-11-23/h6-7,14,16-17H,4-5,8-13,15H2,1-3H3/p+1/t16-/m0/s1