(4-ethoxy-3-nitro-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O4/c1-2-31-23-11-10-19(16-22(23)27(29)30)24(28)26-14-12-25(13-15-26)17-20-8-5-7-18-6-3-4-9-21(18)20/h3-11,16H,2,12-15,17H2,1H3/p+1