[4-(azepan-1-ylsulfonyl)phenyl]methyl-propan-2-yl-azanium

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]methyl-propan-2-yl-azanium Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]methyl-isopropyl-ammonium CAS Name: [4-(1-azepanylsulfonyl)phenyl]methyl-propan-2-ylammonium IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]methyl-propan-2-ylazanium Traditional Name: [4-(azepan-1-ylsulfonyl)benzyl]-isopropyl-ammonium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H26N2O2S/c1-14(2)17-13-15-7-9-16(10-8-15)21(19,20)18-11-5-3-4-6-12-18/h7-10,14,17H,3-6,11-13H2,1-2H3/p+1