dimethyl-[(3S)-1-[3-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[3-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium CAS Name: dimethyl-[(3S)-1-[oxo-[3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]azanium Traditional Name: dimethyl-[(3S)-1-[3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O2/c1-27(2)23-12-18-29(20-23)26(30)22-9-6-10-25(19-22)31-24-13-16-28(17-14-24)15-11-21-7-4-3-5-8-21/h3-10,19,23-24H,11-18,20H2,1-2H3/p+2/t23-/m0/s1