N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-nitroaniline IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitroaniline Traditional Name: [2-(morpholin-4-ium-4-ylmethyl)benzyl]-(2-nitrophenyl)amine Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-21(23)18-8-4-3-7-17(18)19-13-15-5-1-2-6-16(15)14-20-9-11-24-12-10-20/h1-8,19H,9-14H2/p+1