2-[3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[3-amino-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[3-amino-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoylamino]ethyl-dimethyl-ammonium Formula: C18H33N5O+2 MolecularWeight: 335.48752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCC(=O)NCC[NH+](C)C)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCC(=O)NCC[NH+](C)C)N

InChI

InChI=1S/C18H31N5O/c1-21(2)9-8-20-18(24)7-5-15-4-6-17(16(19)14-15)23-12-10-22(3)11-13-23/h4,6,14H,5,7-13,19H2,1-3H3,(H,20,24)/p+2