cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylhex-5-enyl]azanium

Systemtic Name: cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylhex-5-enyl]azanium Openeye Name: cyclopropyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclopropyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(CCC=C)O)C3CC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](CCC=C)O)C3CC3

InChI

InChI=1S/C22H30N2O/c1-3-4-11-22(25)17-24(20-12-13-20)16-21-10-7-14-23(21)15-19-9-6-5-8-18(19)2/h3,5-10,14,20,22,25H,1,4,11-13,15-17H2,2H3/p+1/t22-/m0/s1