cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylpentyl]azanium

Systemtic Name: cyclohexylmethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylpentyl]azanium Openeye Name: cyclohexylmethyl-[(2R)-2-hydroxypentyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[(2R)-2-hydroxypentyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[(2R)-2-hydroxypentyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexylmethyl-[(2R)-2-hydroxypentyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H39N2O+ MolecularWeight: 383.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C[NH+](CC1CCCCC1)CC2=CC=CN2CC3=CC=CC=C3C)O

Isomeric SMILES

CCC[C@H](C[NH+](CC1CCCCC1)CC2=CC=CN2CC3=CC=CC=C3C)O

InChI

InChI=1S/C25H38N2O/c1-3-10-25(28)20-26(17-22-12-5-4-6-13-22)19-24-15-9-16-27(24)18-23-14-8-7-11-21(23)2/h7-9,11,14-16,22,25,28H,3-6,10,12-13,17-20H2,1-2H3/p+1/t25-/m1/s1