2-[4-(carboxymethyl)piperazin-1-yl]ethyl-ethanoyl-methyl-[4-[(2-methylphenyl)carbamoylamino]phenyl]azanium

Systemtic Name: 2-[4-(carboxymethyl)piperazin-1-yl]ethyl-ethanoyl-methyl-[4-[(2-methylphenyl)carbamoylamino]phenyl]azanium Openeye Name: acetyl-[2-[4-(carboxymethyl)piperazin-1-yl]ethyl]-methyl-[4-(o-tolylcarbamoylamino)phenyl]ammonium CAS Name: acetyl-[2-[4-(carboxymethyl)-1-piperazinyl]ethyl]-methyl-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]ammonium IUPAC Name: acetyl-[2-[4-(carboxymethyl)piperazin-1-yl]ethyl]-methyl-[4-[(2-methylphenyl)carbamoylamino]phenyl]azanium Traditional Name: acetyl-[2-[4-(carboxymethyl)piperazino]ethyl]-methyl-[4-(o-tolylcarbamoylamino)phenyl]ammonium Formula: C25H34N5O4+ MolecularWeight: 468.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](C)(CCN3CCN(CC3)CC(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](C)(CCN3CCN(CC3)CC(=O)O)C(=O)C

InChI

InChI=1S/C25H33N5O4/c1-19-6-4-5-7-23(19)27-25(34)26-21-8-10-22(11-9-21)30(3,20(2)31)17-16-28-12-14-29(15-13-28)18-24(32)33/h4-11H,12-18H2,1-3H3,(H2-,26,27,32,33,34)/p+1