[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-methylphenyl)methyl]azanium

Systemtic Name: [4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-methylphenyl)methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(m-tolylmethyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(3-methylphenyl)methyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(3-methylbenzyl)ammonium Formula: C23H34N2O3+2 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC2=C(C=C(C=C2)OC)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H32N2O3/c1-18-6-5-7-19(12-18)14-24-15-20-8-9-22(27-2)13-23(20)28-17-21(26)16-25-10-3-4-11-25/h5-9,12-13,21,24,26H,3-4,10-11,14-17H2,1-2H3/p+2/t21-/m0/s1