4-(methoxymethyl)-6-methyl-2-[3-[(3S)-morpholin-4-ium-3-yl]propylamino]-5-nitro-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[3-[(3S)-morpholin-4-ium-3-yl]propylamino]-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(methoxymethyl)-6-methyl-2-[3-[(3S)-morpholin-4-ium-3-yl]propylamino]-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[3-[(3S)-3-morpholin-4-iumyl]propylamino]-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(methoxymethyl)-6-methyl-2-[3-[(3S)-morpholin-4-ium-3-yl]propylamino]-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 4-(methoxymethyl)-6-methyl-2-[3-[(3S)-morpholin-4-ium-3-yl]propylamino]-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C16H25N5O4+2 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[NH+]1)NCCCC2COCC[NH2+]2)C#N)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[NH+]1)NCCC[C@H]2COCC[NH2+]2)C#N)COC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-11-15(21(22)23)14(10-24-2)13(8-17)16(20-11)19-5-3-4-12-9-25-7-6-18-12/h12,18H,3-7,9-10H2,1-2H3,(H,19,20)/p+2/t12-/m0/s1