(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-piperazin-4-ium-1-yl-prop-2-enal

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-2-piperazin-4-ium-1-yl-prop-2-enal Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-piperazin-4-ium-1-yl-prop-2-enal CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(1-piperazin-4-iumyl)-2-propenal IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-piperazin-4-ium-1-ylprop-2-enal Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-2-piperazin-4-ium-1-yl-acrolein Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C(\C=O)/N2CC[NH2+]CC2)OC

InChI

InChI=1S/C17H24N2O3/c1-13(2)22-16-5-4-14(11-17(16)21-3)10-15(12-20)19-8-6-18-7-9-19/h4-5,10-13,18H,6-9H2,1-3H3/p+1/b15-10+