(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C24H25N3O2/c1-29-23-6-5-21-16-19(2-4-22(21)17-23)3-7-24(28)27-14-12-26(13-15-27)18-20-8-10-25-11-9-20/h2-11,16-17H,12-15,18H2,1H3/p+1/b7-3+