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

Systemtic Name: cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylhex-5-enyl]azanium Openeye Name: cyclohexylmethyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexylmethyl-[(2S)-2-hydroxyhex-5-enyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H39N2O+ MolecularWeight: 395.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC3CCCCC3)CC(CCC=C)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC3CCCCC3)C[C@H](CCC=C)O

InChI

InChI=1S/C26H38N2O/c1-3-4-16-26(29)21-27(18-23-12-6-5-7-13-23)20-25-15-10-17-28(25)19-24-14-9-8-11-22(24)2/h3,8-11,14-15,17,23,26,29H,1,4-7,12-13,16,18-21H2,2H3/p+1/t26-/m0/s1