[2-methoxy-4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[(Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[(Z)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-[(Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenyl] ester Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H27N3O3/c1-19(29)31-24-11-10-20(16-25(24)30-2)17-26-28-14-12-27(13-15-28)18-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,16-17H,12-15,18H2,1-2H3/p+1/b26-17-