methyl-[(2-methylphenyl)methyl]-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

InChI

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