[(3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C22H37N3O3+2 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CCC(C3)[NH+](C)C)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)N3CC[C@@H](C3)[NH+](C)C)OC

InChI

InChI=1S/C22H35N3O3/c1-16(2)24-12-9-19(10-13-24)28-21-14-17(6-7-20(21)27-5)22(26)25-11-8-18(15-25)23(3)4/h6-7,14,16,18-19H,8-13,15H2,1-5H3/p+2/t18-/m0/s1