2-[4-(carboxymethyl)piperazin-1-yl]ethyl-ethanoyl-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methyl-azanium

Systemtic Name: 2-[4-(carboxymethyl)piperazin-1-yl]ethyl-ethanoyl-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methyl-azanium Openeye Name: acetyl-[2-[4-(carboxymethyl)piperazin-1-yl]ethyl]-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-methyl-ammonium CAS Name: acetyl-[2-[4-(carboxymethyl)-1-piperazinyl]ethyl]-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-methylammonium IUPAC Name: acetyl-[2-[4-(carboxymethyl)piperazin-1-yl]ethyl]-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-methylazanium Traditional Name: acetyl-[2-[4-(carboxymethyl)piperazino]ethyl]-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-methyl-ammonium Formula: C26H36N5O5+ MolecularWeight: 498.59454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O5/c1-19-7-5-6-8-22(19)27-26(35)28-23-10-9-21(17-24(23)36-4)31(3,20(2)32)16-15-29-11-13-30(14-12-29)18-25(33)34/h5-10,17H,11-16,18H2,1-4H3,(H2-,27,28,33,34,35)/p+1