6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Formula: C21H30ClN4O2S+ MolecularWeight: 438.0065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4O2S/c1-3-26(4-2)29(27,28)20-10-11-21(23-16-20)25-13-5-12-24(14-15-25)17-18-6-8-19(22)9-7-18/h6-11,16H,3-5,12-15,17H2,1-2H3/p+1