N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C19H27N5O3+2 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-27-17-7-5-16(6-8-17)23-14-12-22(13-15-23)11-3-10-21-19-18(24(25)26)4-2-9-20-19/h2,4-9H,3,10-15H2,1H3,(H,20,21)/p+2