cyclohexyl-[(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-methoxy-propyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-methoxypropyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-methoxypropyl]azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-methoxy-propyl]ammonium Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)O

Isomeric SMILES

COC[C@H](C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)O

InChI

InChI=1S/C22H32N2O2/c1-26-18-22(25)17-24(20-11-6-3-7-12-20)16-21-13-8-14-23(21)15-19-9-4-2-5-10-19/h2,4-5,8-10,13-14,20,22,25H,3,6-7,11-12,15-18H2,1H3/p+1/t22-/m0/s1