1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propan-1-one Traditional Name: 3-(4-mesyl-1,4-diazepan-1-ium-1-yl)-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C20H33N4O4S+ MolecularWeight: 425.56542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H32N4O4S/c1-28-19-6-4-18(5-7-19)22-13-15-23(16-14-22)20(25)8-11-21-9-3-10-24(17-12-21)29(2,26)27/h4-7H,3,8-17H2,1-2H3/p+1