N-(2-methoxy-4-nitro-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H21N5O4/c1-27-17-12-15(23(25)26)2-3-16(17)20-18(24)22-10-8-21(9-11-22)13-14-4-6-19-7-5-14/h2-7,12H,8-11,13H2,1H3,(H,20,24)/p+1