[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone

Systemtic Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Openeye Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methanone IUPAC Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Traditional Name: [(2S)-2-methylolpyrrolidino]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H32N2O3/c28-19-22-7-4-15-27(22)25(29)21-8-10-23(11-9-21)30-24-13-17-26(18-14-24)16-12-20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24,28H,4,7,12-19H2/p+1/t22-/m0/s1