2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidin-4-amine CAS Name: 2-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-(2-morpholin-4-ium-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-2-(2-morpholin-4-ium-4-ylethyl)-5-nitro-pyrimidin-4-yl]amine Formula: C22H31N6O3+ MolecularWeight: 427.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)CC[NH+]4CCOCC4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)CC[NH+]4CCOCC4)N)[N+](=O)[O-]

InChI

InChI=1S/C22H30N6O3/c23-21-20(28(29)30)22(25-19(24-21)8-9-26-12-14-31-15-13-26)27-10-6-18(7-11-27)16-17-4-2-1-3-5-17/h1-5,18H,6-16H2,(H2,23,24,25)/p+1