1-[4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]-3-nitro-phenyl]ethanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15(24)16-6-7-19(20(12-16)23(25)26)21-13-17-4-2-3-5-18(17)14-22-8-10-27-11-9-22/h2-7,12,21H,8-11,13-14H2,1H3/p+1