furan-2-ylmethyl-methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]azanium Openeye Name: 2-furylmethyl-methyl-[(4R)-7-oxo-1-(p-tolylmethyl)azepan-4-yl]ammonium CAS Name: 2-furanylmethyl-methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxo-4-azepanyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(4R)-1-[(4-methylphenyl)methyl]-7-oxoazepan-4-yl]azanium Traditional Name: 2-furfuryl-[(4R)-7-keto-1-(4-methylbenzyl)azepan-4-yl]-methyl-ammonium Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C20H26N2O2/c1-16-5-7-17(8-6-16)14-22-12-11-18(9-10-20(22)23)21(2)15-19-4-3-13-24-19/h3-8,13,18H,9-12,14-15H2,1-2H3/p+1/t18-/m1/s1