(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2-naphthyl)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-3-(6-methoxy-2-naphthyl)prop-2-en-1-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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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)CC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O3/c1-31-23-9-8-21-17-20(5-7-22(21)18-23)6-10-24(29)28-15-13-26(14-16-28)19-25(30)27-11-3-2-4-12-27/h5-10,17-18H,2-4,11-16,19H2,1H3/p+1/b10-6+