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

Systemtic Name: [(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2S)-2-hydroxy-3-methoxy-propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-methoxypropyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxy-3-methoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2S)-2-hydroxy-3-methoxy-propyl]ammonium Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-3-11-20(15-19(22)16-23-2)14-18-10-7-12-21(18)13-17-8-5-4-6-9-17/h3-10,12,19,22H,1,11,13-16H2,2H3/p+1/t19-/m0/s1