dimethyl-[[2-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]methyl]benzyl]ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-18-11-12-19(15-22(18)30(28,29)26-13-7-4-8-14-26)23(27)24-16-20-9-5-6-10-21(20)17-25(2)3/h5-6,9-12,15H,4,7-8,13-14,16-17H2,1-3H3,(H,24,27)/p+1