N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-oxidanylidene-propyl]methanesulfonamide chloride

Systemtic Name: N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-oxidanylidene-propyl]methanesulfonamide chloride Openeye Name: N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-oxo-propyl]methanesulfonamide chloride CAS Name: N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-oxopropyl]methanesulfonamide chloride IUPAC Name: N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-oxopropyl]methanesulfonamide chloride Traditional Name: N-[3-(3-aza-7-azoniadispiro[5.0.5^{7}.1^{6}]tridecan-3-yl)-1-(4-chlorophenyl)-3-keto-propyl]methanesulfonamide chloride Formula: C21H31Cl2N3O3S MolecularWeight: 476.46014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC(=O)N1CCC2(CC1)C[N+]23CCCCC3)C4=CC=C(C=C4)Cl.[Cl-]

Isomeric SMILES

CS(=O)(=O)NC(CC(=O)N1CCC2(CC1)C[N+]23CCCCC3)C4=CC=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C21H31ClN3O3S.ClH/c1-29(27,28)23-19(17-5-7-18(22)8-6-17)15-20(26)24-11-9-21(10-12-24)16-25(21)13-3-2-4-14-25;/h5-8,19,23H,2-4,9-16H2,1H3;1H/q+1;/p-1