[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[2-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone

Systemtic Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[2-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone Openeye Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[2-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]methanone CAS Name: [4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-[2-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]methanone IUPAC Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[2-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]methanone Traditional Name: [4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-[2-[(1-mesyl-4-piperidyl)oxy]phenyl]methanone Formula: C21H32N3O4S+ MolecularWeight: 422.56148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4CC4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)OC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4CC4

InChI

InChI=1S/C21H31N3O4S/c1-29(26,27)24-10-8-18(9-11-24)28-20-5-3-2-4-19(20)21(25)23-14-12-22(13-15-23)16-17-6-7-17/h2-5,17-18H,6-16H2,1H3/p+1