1-(azepan-1-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(azepan-1-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(azepan-1-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(1-azepanylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(azepan-1-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(azepan-1-ylsulfonyl)-4-p-anisyl-1,4-diazepan-4-ium Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H31N3O3S/c1-25-19-9-7-18(8-10-19)17-20-11-6-14-22(16-15-20)26(23,24)21-12-4-2-3-5-13-21/h7-10H,2-6,11-17H2,1H3/p+1