1-[(4-chlorophenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(1-piperidylsulfonyl)-1,4-diazepan-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(1-piperidinylsulfonyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepan-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-piperidinosulfonyl-1,4-diazepan-1-ium Formula: C17H27ClN3O2S+ MolecularWeight: 372.93318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H26ClN3O2S/c18-17-7-5-16(6-8-17)15-19-9-4-12-21(14-13-19)24(22,23)20-10-2-1-3-11-20/h5-8H,1-4,9-15H2/p+1