N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C18H24N4O3+2 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-14-4-6-15(7-5-14)16(13-21-9-11-25-12-10-21)20-18-17(22(23)24)3-2-8-19-18/h2-8,16H,9-13H2,1H3,(H,19,20)/p+2/t16-/m0/s1