N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carboxamide Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H32N4O4/c1-32-22-8-9-23(33-2)20(15-22)17-28-10-12-29(13-11-28)25(31)26-16-18-4-3-5-21(14-18)27-24(30)19-6-7-19/h3-5,8-9,14-15,19H,6-7,10-13,16-17H2,1-2H3,(H,26,31)(H,27,30)/p+1