[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone

Systemtic Name: [(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Openeye Name: [(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [(3S)-3-(methoxymethyl)-1-pyrrolidinyl]-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methanone IUPAC Name: [(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Traditional Name: [(3S)-3-(methoxymethyl)pyrrolidino]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c1-30-20-22-12-18-28(19-22)26(29)23-7-9-24(10-8-23)31-25-13-16-27(17-14-25)15-11-21-5-3-2-4-6-21/h2-10,22,25H,11-20H2,1H3/p+1/t22-/m0/s1