N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [4-(morpholin-4-ium-4-ylmethyl)benzyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H22N4O3+2 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c22-21(23)16-2-1-7-18-17(16)19-12-14-3-5-15(6-4-14)13-20-8-10-24-11-9-20/h1-7H,8-13H2,(H,18,19)/p+2