[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C25H33ClN3O3S+ MolecularWeight: 491.06582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H32ClN3O3S/c1-20-6-9-22(18-24(20)33(31,32)29-14-3-2-4-15-29)25(30)28-13-5-12-27(16-17-28)19-21-7-10-23(26)11-8-21/h6-11,18H,2-5,12-17,19H2,1H3/p+1