2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethylazanium

Systemtic Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethylazanium Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethylammonium CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]ethylammonium IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]ethylazanium Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]ethylammonium Formula: C15H25N2O3S+ MolecularWeight: 313.4356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH3+])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH3+])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C15H24N2O3S/c1-20-14-7-6-13(8-9-16)12-15(14)21(18,19)17-10-4-2-3-5-11-17/h6-7,12H,2-5,8-11,16H2,1H3/p+1