[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-3-29-20-14-16(4-9-19(20)28-2)15-22-10-12-23(13-11-22)21(25)17-5-7-18(8-6-17)24(26)27/h4-9,14H,3,10-13,15H2,1-2H3/p+1