1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-p-anisyl-1,4-diazepan-4-ium Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4CC3

InChI

InChI=1S/C23H28N2O3S/c1-28-22-10-7-19(8-11-22)18-24-13-4-14-25(16-15-24)29(26,27)23-12-9-20-5-2-3-6-21(20)17-23/h2-3,5-8,10-11,17H,4,9,12-16,18H2,1H3/p+1