1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCCCCC3

InChI

InChI=1S/C18H24N2O/c1-21-18-11-5-4-10-17(18)20-14-8-9-16(20)15-19-12-6-2-3-7-13-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3/p+1